ZINC 12

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  ZINC ID or SMILES

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• Distributions & Clustering
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• Clustered Targets

ChiralBlock BioScience BB

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

Functional 10μM Targets with Highest Number of Available Compounds (77 in total)

Name (Uniprot)	Swissprot	ChEMBL	Description	Size	Browse	Download (Annotations)
Z50425	Z50425	CHEMBL364	Plasmodium falciparum	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50597	Z50597	CHEMBL376	Rattus norvegicus	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80125	Z80125	CHEMBL613508	DU-145 (Prostate carcinoma)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80156	Z80156	CHEMBL383	HL-60 (Promyeloblast leukemia cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80166	Z80166	CHEMBL384	HT-29 (Colon adenocarcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80193	Z80193	CHEMBL386	L1210 (Lymphocytic leukemia cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80682	Z80682	CHEMBL392	A549 (Lung carcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80697	Z80697	CHEMBL614279	Bel-7402 (Hepatoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80928	Z80928	CHEMBL394	HCT-116 (Colon carcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81020	Z81020	CHEMBL395	HepG2 (Hepatoblastoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHA3_HUMAN	P32297	CHEMBL3068	Neuronal acetylcholine receptor protein alpha-3 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHA4_HUMAN	P43681	CHEMBL1882	Neuronal acetylcholine receptor protein alpha-4 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHA7_RAT	Q05941	CHEMBL4980	Neuronal acetylcholine receptor protein alpha-7 subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACHD_TORCA	P02718	CHEMBL3916	Acetylcholine receptor protein delta chain	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACM1_RAT	P08482	CHEMBL276	Muscarinic acetylcholine receptor M1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACM3_RAT	P08483	CHEMBL320	Muscarinic acetylcholine receptor M3	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ACM4_RAT	P08485	CHEMBL317	Muscarinic acetylcholine receptor M4	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GPBAR_HUMAN	Q8TDU6	CHEMBL5409	G-protein coupled bile acid receptor 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HMDH_HUMAN	P04035	CHEMBL402	HMG-CoA reductase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ICAM1_HUMAN	P05362	CHEMBL3070	Intercellular adhesion molecule-1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ITAL_HUMAN	P20701	CHEMBL1803	Leukocyte adhesion glycoprotein LFA-1 alpha	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
S5A1_HUMAN	P18405	CHEMBL1787	Steroid 5-alpha-reductase 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
S5A2_HUMAN	P31213	CHEMBL1856	Steroid 5-alpha-reductase 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
S5A2_RAT	P31214	CHEMBL5099	Steroid 5-alpha-reductase 2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104283	Z104283	CHEMBL1907589	Neuronal acetylcholine receptor; alpha4/beta2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104288	Z104288	CHEMBL1907594	Neuronal acetylcholine receptor; alpha3/beta4	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z104290	Z104290	CHEMBL1907596	Neuronal acetylcholine receptor; alpha4/beta2	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80014	Z80014	CHEMBL614514	A204 (Rhabdomyosarcoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80019	Z80019	CHEMBL614515	A-427 (Lung carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80021	Z80021	CHEMBL614516	A498 (Renal carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80025	Z80025	CHEMBL614519	ACHN (Renal adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80045	Z80045	CHEMBL613870	BT-20 (Breast carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80048	Z80048	CHEMBL614530	BXPC-3 (Pancreatic adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80056	Z80056	CHEMBL613852	CAKI-2 (Renal carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80086	Z80086	CHEMBL613506	CFPAC-1 (Pancreatic carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80099	Z80099	CHEMBL614561	COLO 205 (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80120	Z80120	CHEMBL614285	DLD-1 (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80164	Z80164	CHEMBL614580	HT-1080 (Fibrosarcoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80186	Z80186	CHEMBL385	K562 (Erythroleukemia cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80211	Z80211	CHEMBL614721	LoVo (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80224	Z80224	CHEMBL387	MCF7 (Breast carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80254	Z80254	CHEMBL614343	MES-SA (Uterine sarcoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80269	Z80269	CHEMBL614354	MKN-45 (Gastric adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80316	Z80316	CHEMBL614771	NCI-H128	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80362	Z80362	CHEMBL389	P388 (Lymphoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80381	Z80381	CHEMBL614139	PANC-1 (Pancreatic carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80390	Z80390	CHEMBL390	PC-3 (Prostate carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80475	Z80475	CHEMBL613834	SK-BR-3 (Breast adenocarcinoma)	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
Z80532	Z80532	CHEMBL614774	T-24 (Bladder carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80539	Z80539	CHEMBL614775	T98G (Glioblastoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80563	Z80563	CHEMBL615025	U-373 MG ( Glioblastoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80565	Z80565	CHEMBL614247	U-87 MG (Glioblastoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80608	Z80608	CHEMBL614393	ZR-75-1 (Breast carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80640	Z80640	CHEMBL613102	786-0 (Renal carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80661	Z80661	CHEMBL614567	A704 (Renal carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80712	Z80712	CHEMBL614361	T47D (Breast carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80800	Z80800	CHEMBL614725	MIA PaCa-2 (Pancreatic carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80847	Z80847	CHEMBL612250	FaDu (Pharyngeal carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80891	Z80891	CHEMBL614804	H4 (Hepatoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80952	Z80952	CHEMBL614662	HES	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80991	Z80991	CHEMBL614645	Hs-578T (Breast carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80996	Z80996	CHEMBL614836	HT1197 (Bladder carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81017	Z81017	CHEMBL614647	WiDr (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81024	Z81024	CHEMBL396	NCI-H460 (Non-small cell lung carcinoma)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81034	Z81034	CHEMBL614004	A2780 (Ovarian carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81057	Z81057	CHEMBL613979	HUVEC (Umbilical vein endothelial cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81072	Z81072	CHEMBL397	Jurkat (Acute leukemic T-cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81074	Z81074	CHEMBL614687	K177cell line	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
Z81247	Z81247	CHEMBL399	HeLa (Cervical adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81248	Z81248	CHEMBL614021	Malme-3M (Melanoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81252	Z81252	CHEMBL400	MDA-MB-231 (Breast adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81335	Z81335	CHEMBL612263	HCT-15 (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase