ZINC 12

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  ZINC ID or SMILES

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Ryan Scientific (Depleted)

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

Functional 10μM Targets with Highest Number of Available Compounds (121 in total)

Name (Uniprot)	Swissprot	ChEMBL	Description	Size	Browse	Download (Annotations)
ESR2_HUMAN	Q92731	CHEMBL242	Estrogen receptor beta	11	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ESR1_HUMAN	P03372	CHEMBL206	Estrogen receptor alpha	9	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50425	Z50425	CHEMBL364	Plasmodium falciparum	9	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80874	Z80874	CHEMBL393	CEM (T-cell leukemia)	9	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80224	Z80224	CHEMBL387	MCF7 (Breast carcinoma cells)	8	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80156	Z80156	CHEMBL383	HL-60 (Promyeloblast leukemia cells)	7	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81247	Z81247	CHEMBL399	HeLa (Cervical adenocarcinoma cells)	7	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80362	Z80362	CHEMBL389	P388 (Lymphoma cells)	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81057	Z81057	CHEMBL613979	HUVEC (Umbilical vein endothelial cells)	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50422	Z50422	CHEMBL612853	Entamoeba histolytica	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50587	Z50587	CHEMBL372	Homo sapiens	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50607	Z50607	CHEMBL378	Human immunodeficiency virus 1	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80166	Z80166	CHEMBL384	HT-29 (Colon adenocarcinoma cells)	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80193	Z80193	CHEMBL386	L1210 (Lymphocytic leukemia cells)	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80682	Z80682	CHEMBL392	A549 (Lung carcinoma cells)	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80928	Z80928	CHEMBL394	HCT-116 (Colon carcinoma cells)	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRM1_HUMAN	Q13255	CHEMBL3772	Metabotropic glutamate receptor 1	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRM5_HUMAN	P41594	CHEMBL3227	Metabotropic glutamate receptor 5	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TRPA1_HUMAN	O75762	CHEMBL6007	Transient receptor potential cation channel subfamily A member 1	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50418	Z50418	CHEMBL612849	Trypanosoma brucei	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50457	Z50457	CHEMBL612877	Leishmania amazonensis	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD2_RAT	P61169	CHEMBL339	Dopamine D2 receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
OXYR_HUMAN	P30559	CHEMBL2049	Oxytocin receptor	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50459	Z50459	CHEMBL367	Leishmania donovani	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50468	Z50468	CHEMBL612652	Giardia intestinalis	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80244	Z80244	CHEMBL614335	MDA-MB-468 (Breast adenocarcinoma)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81072	Z81072	CHEMBL397	Jurkat (Acute leukemic T-cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
AA2AR_CAVPO	P46616	CHEMBL2605	Adenosine A2a receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ANDR_HUMAN	P10275	CHEMBL1871	Androgen Receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
BRS3_HUMAN	P32247	CHEMBL4080	Bombesin like receptor 3	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
BRS3_MOUSE	O54798	CHEMBL1075140	Bombesin receptor subtype-3	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CNR1_HUMAN	P21554	CHEMBL218	Cannabinoid CB1 receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DHI1_MOUSE	P50172	CHEMBL3910	11-beta-hydroxysteroid dehydrogenase 1	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD1_RAT	P18901	CHEMBL265	Dopamine D1 receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD3_RAT	P19020	CHEMBL3138	Dopamine D3 receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD4_RAT	P30729	CHEMBL3361	Dopamine D4 receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
DRD5_RAT	P25115	CHEMBL2281	Dopamine D5 receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GHSR_HUMAN	Q92847	CHEMBL4616	Ghrelin receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PTAFR_HUMAN	P25105	CHEMBL250	Platelet activating factor receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TRPV1_HUMAN	Q8NER1	CHEMBL4794	Vanilloid receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100405	Z100405	CHEMBL613835	MV4-11 (Myeloid leukemia cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100494	Z100494	CHEMBL612655	C2C12 (Myoblast cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z101849	Z101849	CHEMBL613205	Human papillomavirus type 16	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50324	Z50324	CHEMBL612710	Arabidopsis thaliana	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50417	Z50417	CHEMBL612848	Leishmania infantum	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50466	Z50466	CHEMBL368	Trypanosoma cruzi	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50650	Z50650	CHEMBL613738	Measles virus	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50665	Z50665	CHEMBL613749	Enterovirus	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50666	Z50666	CHEMBL613750	Coxsackievirus	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80006	Z80006	CHEMBL614510	3T3-L1 (Fibroblast cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80015	Z80015	CHEMBL613503	A2058 (Melanoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80035	Z80035	CHEMBL381	B16 (Melanoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80136	Z80136	CHEMBL614297	FM3A (Breast carcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80186	Z80186	CHEMBL385	K562 (Erythroleukemia cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80243	Z80243	CHEMBL614334	MDA-MB-453 (Breast adenocarcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80285	Z80285	CHEMBL614177	MOLT-4 (Acute T-lymphoblastic leukemia cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80427	Z80427	CHEMBL614879	RKO (Colon carcinoma)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80485	Z80485	CHEMBL614919	SK-MEL-28 (Melanoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80526	Z80526	CHEMBL612544	SW480 (Colon adenocarcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80583	Z80583	CHEMBL391	Vero (Kidney cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80963	Z80963	CHEMBL614808	HNO 97 cell lines	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81115	Z81115	CHEMBL398	KB (Squamous cell carcinoma)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81331	Z81331	CHEMBL612262	SW-620 (Colon adenocarcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT1B_HUMAN	P28222	CHEMBL1898	Serotonin 1b (5-HT1b) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
5HT1D_HUMAN	P28221	CHEMBL1983	Serotonin 1d (5-HT1d) receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
CDN1A_HUMAN	P38936	CHEMBL5021	CDK-interacting protein 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ECR_AEDAE	P49880	CHEMBL3413	Ecdysone receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRIA1_MOUSE	P23818	CHEMBL3502	Glutamate receptor ionotropic, AMPA 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRIA1_RAT	P19490	CHEMBL3753	Glutamate receptor ionotropic, AMPA 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRIA2_RAT	P19491	CHEMBL3503	Glutamate receptor ionotropic, AMPA 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRIA3_RAT	P19492	CHEMBL3504	Glutamate receptor ionotropic, AMPA 3	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRIA4_RAT	P19493	CHEMBL3505	Glutamate receptor ionotropic, AMPA 4	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRIK1_RAT	P22756	CHEMBL2919	Glutamate receptor ionotropic kainate 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRIK5_RAT	Q63273	CHEMBL4041	Glutamate receptor ionotropic kainate 5	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRM1_RAT	P23385	CHEMBL4477	Metabotropic glutamate receptor 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GRM5_RAT	P31424	CHEMBL2564	Metabotropic glutamate receptor 5	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HRH3_RAT	Q9QYN8	CHEMBL4124	Histamine H3 receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
LPAR1_HUMAN	Q92633	CHEMBL3819	Lysophosphatidic acid receptor Edg-2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
LPAR3_HUMAN	Q9UBY5	CHEMBL3250	Lysophosphatidic acid receptor Edg-7	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MCHR1_HUMAN	Q99705	CHEMBL344	Melanin-concentrating hormone receptor 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NR1H4_HUMAN	Q96RI1	CHEMBL2047	Bile acid receptor FXR	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P2RX7_HUMAN	Q99572	CHEMBL4805	P2X purinoceptor 7	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Q9BEG3_BOVIN	Q9BEG3	CHEMBL2980	Arachidonate 5-lipoxygenase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TAAR1_MOUSE	Q923Y8	CHEMBL4908	Trace amine-associated receptor1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TBA1A_RAT	P68370	CHEMBL4139	Tubulin alpha-1 chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TBB1_HUMAN	Q9H4B7	CHEMBL1915	Tubulin beta-1 chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
V1AR_HUMAN	P37288	CHEMBL1889	Vasopressin V1a receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100745	Z100745	CHEMBL613704	MX1 (Breast carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100766	Z100766	CHEMBL613712	Radical scavenging activity	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z101900	Z101900	CHEMBL612931	Measles virus genotype A	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z101901	Z101901	CHEMBL612932	Measles virus genotype D6	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z101902	Z101902	CHEMBL612933	Measles virus genotype D7	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z102317	Z102317	CHEMBL613617	Brain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50142	Z50142	CHEMBL612610	Influenza A virus (A/PR/8/34(H1N1))	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50212	Z50212	CHEMBL354	Escherichia coli	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50420	Z50420	CHEMBL612851	Trypanosoma brucei brucei	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50424	Z50424	CHEMBL612855	Cryptosporidium parvum	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50426	Z50426	CHEMBL612856	Plasmodium falciparum (isolate K1 / Thailand)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50442	Z50442	CHEMBL366	Candida albicans	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50467	Z50467	CHEMBL612884	Trichomonas vaginalis	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50512	Z50512	CHEMBL369	Cavia porcellus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50592	Z50592	CHEMBL374	Oryctolagus cuniculus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50597	Z50597	CHEMBL376	Rattus norvegicus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50602	Z50602	CHEMBL377	Human herpesvirus 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50606	Z50606	CHEMBL613497	Hepatitis B virus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50609	Z50609	CHEMBL613499	Simian immunodeficiency virus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50651	Z50651	CHEMBL613739	Vesicular stomatitis virus	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50725	Z50725	CHEMBL612348	Trypanosoma brucei rhodesiense	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80055	Z80055	CHEMBL614067	CAKI-1 (Kidney carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80120	Z80120	CHEMBL614285	DLD-1 (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80152	Z80152	CHEMBL613510	HCT-8 (Ileocecal adenocarcinoma)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80211	Z80211	CHEMBL614721	LoVo (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80390	Z80390	CHEMBL390	PC-3 (Prostate carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80491	Z80491	CHEMBL614163	SK-N-MC (Neuroepithelioma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80492	Z80492	CHEMBL614924	SK-N-SH (Neuroblastoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80493	Z80493	CHEMBL614925	SK-OV-3 (Ovarian carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80936	Z80936	CHEMBL614818	HEK293 (Embryonic kidney fibroblasts)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81020	Z81020	CHEMBL395	HepG2 (Hepatoblastoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81133	Z81133	CHEMBL614000	L1210 (1565)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81245	Z81245	CHEMBL614697	MDA-MB-435 (Breast carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81252	Z81252	CHEMBL400	MDA-MB-231 (Breast adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase