UCSF

Targets: ADME/T ≤ 10μM (137 in total)

These are sets of compounds that are commercially available AND active in ADME/T assays at 10uM or better as reported in the medicinal chemistry literature and abstracted by ChEMBL. As such, these amount to target-focused libraries.  Click on the column name to sort.   We are grateful to John Overington and ChEMBL for the data used to create these tables.
 

Name (Uniprot) Swissprot ChEMBL Description Size Browse Download (Annotations)
ACHA3_MOUSE Q8R4G9 CHEMBL1255158 Neuronal Acetylcholine Receptor Subunit Alpha-3, Mouse 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
ACHB4_MOUSE Q8R493 CHEMBL1255157 Neuronal Acetylcholine Receptor Subunit Beta-4, Mouse 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADO_HUMAN Q06278 CHEMBL3257 Aldehyde Oxidase, Human 12 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADO_MACFA Q5FB27 CHEMBL1641357 Aldehyde Oxidase, Macfa 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADO_MOUSE O54754 CHEMBL1641354 Aldehyde Oxidase, Mouse 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADO_RABIT P80456 CHEMBL1641356 Aldehyde Oxidase, Rabit 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
ADO_RAT Q9Z0U5 CHEMBL1641355 Aldehyde Oxidase, Rat 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
ALBU_HUMAN P02768 CHEMBL3253 Serum Albumin, Human 17 Annotations Catalogs SMILES SDF Mol2 Flexibase
ALBU_RAT P02770 CHEMBL4817 Serum Albumin, Rat 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP1A1_HUMAN P04798 CHEMBL2231 Cytochrome P450 1A1, Human 55 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP1A2_HUMAN P05177 CHEMBL3356 Cytochrome P450 1A2, Human 270 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP1B1_HUMAN Q16678 CHEMBL4878 Cytochrome P450 1B1, Human 46 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP24A_HUMAN Q07973 CHEMBL4521 Cytochrome P450 24A1, Human 11 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2A2_RAT P15149 CHEMBL3705 Cytochrome P450 2A2, Rat 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2A5_MOUSE P20852 CHEMBL4085 Cytochrome P450 2A5, Mouse 24 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2A6_HUMAN P11509 CHEMBL5282 Cytochrome P450 2A6, Human 79 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2B1_RAT P00176 CHEMBL3335 Cytochrome P450 2B1, Rat 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2B4_RABIT P00178 CHEMBL1743542 Cytochrome P450 2B4, Rabit 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2B6_HUMAN P20813 CHEMBL4729 Cytochrome P450 2B6, Human 31 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2C8_HUMAN P10632 CHEMBL3721 Cytochrome P450 2C8, Human 29 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2C9_HUMAN P11712 CHEMBL3397 Cytochrome P450 2C9, Human 797 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2CI_HUMAN P33260 CHEMBL2408 Cytochrome P450 2C18, Human 12 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2CJ_HUMAN P33261 CHEMBL3622 Cytochrome P450 2C19, Human 306 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2CN_RAT P24470 CHEMBL2772 Cytochrome P450 2C23, Rat 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2D6_HUMAN P10635 CHEMBL289 Cytochrome P450 2D6, Human 1286 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2DI_RAT Q64680 CHEMBL4982 Cytochrome P450 2D18, Rat 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2DQ_RAT P10634 CHEMBL2483 Cytochrome P450 2D2, Rat 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2E1_HUMAN P05181 CHEMBL5281 Cytochrome P450 2E1, Human 23 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2E1_RAT P05182 CHEMBL5978 Cytochrome P450 2E1, Rat 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP2J2_HUMAN P51589 CHEMBL3491 Cytochrome P450 2J2, Human 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP343_HUMAN Q9HB55 CHEMBL5792 Cytochrome P450 3A43, Human 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP3A1_RAT P04800 CHEMBL3323 Cytochrome P450 3A1, Rat 17 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP3A2_RAT P05183 CHEMBL3324 Cytochrome P450 3A2, Rat 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP3A4_HUMAN P08684 CHEMBL340 Cytochrome P450 3A4, Human 1580 Annotations Catalogs SMILES SDF Mol2 Flexibase
CP3A5_HUMAN P20815 CHEMBL3019 Cytochrome P450 3A5, Human 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
S15A2_HUMAN Q16348 CHEMBL1743125 Solute Carrier Family 15 Member 2, Human 21 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100081 Z100081 CHEMBL613107 PBMC (Peripheral Blood Mononuclear Cells) 83 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100091 Z100091 CHEMBL614666 HS27 (Fibroblast Cells) 33 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100094 Z100094 CHEMBL613547 MLF (Lung Fibroblast Cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100191 Z100191 CHEMBL614876 RH7777 (Hepatoma Cells) 56 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100495 Z100495 CHEMBL613880 BMEC (Brain Microvessel Endothelial Cells) 11 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102164 Z102164 CHEMBL613373 Liver Microsomes 31 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102178 Z102178 CHEMBL613694 Liver Microsomes 20 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102317 Z102317 CHEMBL613617 Brain 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102352 Z102352 CHEMBL613652 Plasma 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103203 Z103203 CHEMBL1075388 A375 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50418 Z50418 CHEMBL612849 Trypanosoma Brucei 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50459 Z50459 CHEMBL367 Leishmania Donovani 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50460 Z50460 CHEMBL612879 Leishmania Major 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50531 Z50531 CHEMBL613135 Caenorhabditis Elegans 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50587 Z50587 CHEMBL372 Homo Sapiens 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50593 Z50593 CHEMBL612671 Gerbillinae 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50594 Z50594 CHEMBL375 Mus Musculus 46 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50597 Z50597 CHEMBL376 Rattus Norvegicus 17 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80002 Z80002 CHEMBL614075 1A9 (Ovarian Adenocarcinoma Cells) 20 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80005 Z80005 CHEMBL614077 3T3 (Fibroblast Cells) 22 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80007 Z80007 CHEMBL614511 41M (Ovarian Carcinoma Cells) 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80013 Z80013 CHEMBL614513 A10 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80015 Z80015 CHEMBL613503 A2058 (Melanoma Cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80035 Z80035 CHEMBL381 B16 (Melanoma Cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80036 Z80036 CHEMBL614524 BaF3 (IL-3-dependent Pro-B-cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80052 Z80052 CHEMBL614533 C8166 (Leukemic T-cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80054 Z80054 CHEMBL614058 Caco-2 (Colon Adenocarcinoma Cells) 15 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80064 Z80064 CHEMBL382 CCRF-CEM (T-cell Leukemia) 15 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80076 Z80076 CHEMBL614548 CEM-SS (T-cell Leukemia) 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80088 Z80088 CHEMBL613853 CHO (Ovarian Cells) 56 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80092 Z80092 CHEMBL614031 CHO-K1 (Ovarian Cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80094 Z80094 CHEMBL614558 CHO-MG (Ovarian Cells) 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80113 Z80113 CHEMBL612519 Daoy (Medulloblastoma Cells) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80118 Z80118 CHEMBL614284 Detroit 551 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80136 Z80136 CHEMBL614297 FM3A (Breast Carcinoma Cells) 25 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80150 Z80150 CHEMBL614576 H9c2 (Cardiomyoblast Cells) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80156 Z80156 CHEMBL383 HL-60 (Promyeloblast Leukemia Cells) 88 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80164 Z80164 CHEMBL614580 HT-1080 (Fibrosarcoma Cells) 11 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80166 Z80166 CHEMBL384 HT-29 (Colon Adenocarcinoma Cells) 30 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80178 Z80178 CHEMBL614040 J774.A1 (Macrophage Cells) 12 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80186 Z80186 CHEMBL385 K562 (Erythroleukemia Cells) 59 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80192 Z80192 CHEMBL614709 KM12 (Colon Adenocarcinoma Cells) 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80193 Z80193 CHEMBL386 L1210 (Lymphocytic Leukemia Cells) 51 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80211 Z80211 CHEMBL614721 LoVo (Colon Adenocarcinoma Cells) 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80224 Z80224 CHEMBL387 MCF7 (Breast Carcinoma Cells) 58 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80249 Z80249 CHEMBL614068 MDCK (Kidney Cells) 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80253 Z80253 CHEMBL614342 MEF (Embryonic Fibroblast Cells) 8 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80285 Z80285 CHEMBL614177 MOLT-4 (Acute T-lymphoblastic Leukemia Cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80291 Z80291 CHEMBL614181 MRC5 (Embryonic Lung Fibroblast Cells) 123 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80295 Z80295 CHEMBL388 MT4 (Lymphocytes) 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80332 Z80332 CHEMBL614198 NFF (Fibroblast Cells) 18 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80335 Z80335 CHEMBL614200 NHDF 57 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80351 Z80351 CHEMBL614210 OST (Osteosarcoma Cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80362 Z80362 CHEMBL389 P388 (Lymphoma Cells) 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80375 Z80375 CHEMBL614226 P815 (Mastocytoma Cells) 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80384 Z80384 CHEMBL614233 PBL (Peripheral Blood Lymphocytes) 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80390 Z80390 CHEMBL390 PC-3 (Prostate Carcinoma Cells) 35 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80399 Z80399 CHEMBL614239 PrEC 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80409 Z80409 CHEMBL614385 R2 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80414 Z80414 CHEMBL614628 Raji (B-lymphoblastic Cells) 33 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80418 Z80418 CHEMBL612557 RAW264.7 (Monocytic-macrophage Leukemia Cells) 41 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80433 Z80433 CHEMBL614882 RPMI-8226 (Multiple Myeloma Cells) 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80434 Z80434 CHEMBL614883 RPTEC (Renal Proximal Tubule Epithelial Cells) 62 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80491 Z80491 CHEMBL614163 SK-N-MC (Neuroepithelioma Cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80548 Z80548 CHEMBL614245 THP-1 (Acute Monocytic Leukemia Cells) 31 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80578 Z80578 CHEMBL612800 UV4 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80583 Z80583 CHEMBL391 Vero (Kidney Cells) 140 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80608 Z80608 CHEMBL614393 ZR-75-1 (Breast Carcinoma Cells) 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80612 Z80612 CHEMBL612818 2008 (Ovarian Carcinoma Cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80667 Z80667 CHEMBL614262 AA8 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80682 Z80682 CHEMBL392 A549 (Lung Carcinoma Cells) 47 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80704 Z80704 CHEMBL614358 BJ (Foreskin Fibroblast Cells) 38 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80712 Z80712 CHEMBL614361 T47D (Breast Carcinoma Cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80784 Z80784 CHEMBL614462 Col2 (Colon Carcinoma Cells) 15 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80874 Z80874 CHEMBL393 CEM (T-cell Leukemia) 123 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80897 Z80897 CHEMBL614806 H9 (T-lymphoid Cells) 65 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80901 Z80901 CHEMBL614392 HaCaT (Keratinocytes) 15 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80928 Z80928 CHEMBL394 HCT-116 (Colon Carcinoma Cells) 56 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80936 Z80936 CHEMBL614818 HEK293 (Embryonic Kidney Fibroblasts) 86 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80951 Z80951 CHEMBL614822 NIH3T3 (Fibroblasts) 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80954 Z80954 CHEMBL614071 HFF (Foreskin Fibroblasts) 36 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80957 Z80957 CHEMBL614734 HMEC (Microvascular Endothelial Cells) 30 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80980 Z80980 CHEMBL614736 HOS (Osteosarcoma Cells) 12 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81020 Z81020 CHEMBL395 HepG2 (Hepatoblastoma Cells) 162 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81024 Z81024 CHEMBL396 NCI-H460 (Non-small Cell Lung Carcinoma) 11 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81032 Z81032 CHEMBL613893 Human Neoplasticcell Line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81034 Z81034 CHEMBL614004 A2780 (Ovarian Carcinoma Cells) 33 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81057 Z81057 CHEMBL613979 HUVEC (Umbilical Vein Endothelial Cells) 118 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81072 Z81072 CHEMBL397 Jurkat (Acute Leukemic T-cells) 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81115 Z81115 CHEMBL398 KB (Squamous Cell Carcinoma) 61 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81135 Z81135 CHEMBL614793 L6 (Skeletal Muscle Myoblast Cells) 320 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81137 Z81137 CHEMBL612267 L929 (Fibroblast Cells) 24 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81170 Z81170 CHEMBL612518 LNCaP (Prostate Carcinoma) 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81244 Z81244 CHEMBL614123 J774 (Macrophage Cells) 9 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81245 Z81245 CHEMBL614697 MDA-MB-435 (Breast Carcinoma Cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81247 Z81247 CHEMBL399 HeLa (Cervical Adenocarcinoma Cells) 44 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81252 Z81252 CHEMBL400 MDA-MB-231 (Breast Adenocarcinoma Cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81264 Z81264 CHEMBL614074 V79 (Lung Fibroblasts) 28 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81325 Z81325 CHEMBL614300 SR (Leukemia Cells) 10 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81331 Z81331 CHEMBL612262 SW-620 (Colon Adenocarcinoma Cells) 40 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81335 Z81335 CHEMBL612263 HCT-15 (Colon Adenocarcinoma Cells) 11 Annotations Catalogs SMILES SDF Mol2 Flexibase