UCSF

Novochemy Building Blocks

Binding 10μM Binding 1μM Functional 10μM ADME/T 10μM

Functional 10μM Targets with Highest Number of Available Compounds (75 in total)

Name (Uniprot) Swissprot ChEMBL Description Size Browse Download (Annotations)
HCAR2_HUMAN Q8TDS4 CHEMBL3785 Nicotinic acid receptor 1 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50597 Z50597 CHEMBL376 Rattus norvegicus 7 Annotations Catalogs SMILES SDF Mol2 Flexibase
TAAR1_HUMAN Q96RJ0 CHEMBL5857 Trace amine-associated receptor 1 6 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50425 Z50425 CHEMBL364 Plasmodium falciparum 5 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80156 Z80156 CHEMBL383 HL-60 (Promyeloblast leukemia cells) 4 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81247 Z81247 CHEMBL399 HeLa (Cervical adenocarcinoma cells) 3 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2A_RAT P14842 CHEMBL322 Serotonin 2a (5-HT2a) receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2B_RAT P30994 CHEMBL323 Serotonin 2b (5-HT2b) receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2C_HUMAN P28335 CHEMBL225 Serotonin 2c (5-HT2c) receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2C_RAT P08909 CHEMBL324 Serotonin 2c (5-HT2c) receptor 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80186 Z80186 CHEMBL385 K562 (Erythroleukemia cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80193 Z80193 CHEMBL386 L1210 (Lymphocytic leukemia cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80466 Z80466 CHEMBL614907 SF268 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80682 Z80682 CHEMBL392 A549 (Lung carcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81024 Z81024 CHEMBL396 NCI-H460 (Non-small cell lung carcinoma) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81072 Z81072 CHEMBL397 Jurkat (Acute leukemic T-cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81252 Z81252 CHEMBL400 MDA-MB-231 (Breast adenocarcinoma cells) 2 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2A_HUMAN P28223 CHEMBL224 Serotonin 2a (5-HT2a) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT2B_HUMAN P41595 CHEMBL1833 Serotonin 2b (5-HT2b) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3A_HUMAN P46098 CHEMBL1899 Serotonin 3a (5-HT3a) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
5HT3B_HUMAN O95264 CHEMBL3895 Serotonin 3b (5-HT3b) receptor 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
EDNRA_HUMAN P25101 CHEMBL252 Endothelin receptor ET-A 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
EDNRB_HUMAN P24530 CHEMBL1785 Endothelin receptor ET-B 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
ESR2_HUMAN Q92731 CHEMBL242 Estrogen receptor beta 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
HCAR2_MOUSE Q9EP66 CHEMBL4420 HM74 nicotinic acid GPCR 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TAAR1_MOUSE Q923Y8 CHEMBL4908 Trace amine-associated receptor1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
TAAR1_RAT Q923Y9 CHEMBL3833 Trace amine-associated receptor1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100515 Z100515 CHEMBL612595 HPAC (Pancreatic adenocarcinoma) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100733 Z100733 CHEMBL613866 CT26 (Colon carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z100757 Z100757 CHEMBL612570 SW1573 (Lung carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z102317 Z102317 CHEMBL613617 Brain 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103393 Z103393 CHEMBL1075578 SK-N-AS 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z103407 Z103407 CHEMBL1075592 SW1990 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50467 Z50467 CHEMBL612884 Trichomonas vaginalis 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50472 Z50472 CHEMBL612888 Toxoplasma gondii 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50530 Z50530 CHEMBL371 Human herpesvirus 5 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z50677 Z50677 CHEMBL613758 Human immunodeficiency virus 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80005 Z80005 CHEMBL614077 3T3 (Fibroblast cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80036 Z80036 CHEMBL614524 BaF3 (IL-3-dependent pro-B-cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80048 Z80048 CHEMBL614530 BXPC-3 (Pancreatic adenocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80064 Z80064 CHEMBL382 CCRF-CEM (T-cell leukemia) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80076 Z80076 CHEMBL614548 CEM-SS (T-cell leukemia) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80125 Z80125 CHEMBL613508 DU-145 (Prostate carcinoma) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80132 Z80132 CHEMBL614293 EL4 (Thymoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80136 Z80136 CHEMBL614297 FM3A (Breast carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80164 Z80164 CHEMBL614580 HT-1080 (Fibrosarcoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80166 Z80166 CHEMBL384 HT-29 (Colon adenocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80208 Z80208 CHEMBL614720 L5178Y (Lymphoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80224 Z80224 CHEMBL387 MCF7 (Breast carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80255 Z80255 CHEMBL613827 MES-SA/DxS (Uterine sarcoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80334 Z80334 CHEMBL613828 NG108-15 (Neuroblastoma-glioma hybrid cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80390 Z80390 CHEMBL390 PC-3 (Prostate carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80414 Z80414 CHEMBL614628 Raji (B-lymphoblastic cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80457 Z80457 CHEMBL614901 SCC-25 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80478 Z80478 CHEMBL614913 SK-LU-1 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80482 Z80482 CHEMBL614917 SK-MEL-2 (Melanoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80485 Z80485 CHEMBL614919 SK-MEL-28 (Melanoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80493 Z80493 CHEMBL614925 SK-OV-3 (Ovarian carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80526 Z80526 CHEMBL612544 SW480 (Colon adenocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80561 Z80561 CHEMBL615023 U2OS (Osteosarcoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80563 Z80563 CHEMBL615025 U-373 MG ( Glioblastoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80583 Z80583 CHEMBL391 Vero (Kidney cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80702 Z80702 CHEMBL613537 BG-1 cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80726 Z80726 CHEMBL614367 TRAMP-C1A (Prostate carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80730 Z80730 CHEMBL614368 C2D cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80731 Z80731 CHEMBL613541 C2G cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80732 Z80732 CHEMBL614369 TRAMP-C2H (Prostate carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80742 Z80742 CHEMBL614657 C6 (Glioma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80870 Z80870 CHEMBL614505 GM892A cell line 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80874 Z80874 CHEMBL393 CEM (T-cell leukemia) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z80928 Z80928 CHEMBL394 HCT-116 (Colon carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81034 Z81034 CHEMBL614004 A2780 (Ovarian carcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81115 Z81115 CHEMBL398 KB (Squamous cell carcinoma) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81170 Z81170 CHEMBL612518 LNCaP (Prostate carcinoma) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase
Z81335 Z81335 CHEMBL612263 HCT-15 (Colon adenocarcinoma cells) 1 Annotations Catalogs SMILES SDF Mol2 Flexibase