ZINC 12

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  ZINC ID or SMILES

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• Distributions & Clustering
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• Clustered Targets

Apollo Scientific

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

Functional 10μM Targets with Highest Number of Available Compounds (79 in total)

Name (Uniprot)	Swissprot	ChEMBL	Description	Size	Browse	Download (Annotations)
Z80193	Z80193	CHEMBL386	L1210 (Lymphocytic leukemia cells)	7	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80064	Z80064	CHEMBL382	CCRF-CEM (T-cell leukemia)	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80186	Z80186	CHEMBL385	K562 (Erythroleukemia cells)	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80164	Z80164	CHEMBL614580	HT-1080 (Fibrosarcoma cells)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80682	Z80682	CHEMBL392	A549 (Lung carcinoma cells)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50425	Z50425	CHEMBL364	Plasmodium falciparum	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50607	Z50607	CHEMBL378	Human immunodeficiency virus 1	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80101	Z80101	CHEMBL614562	COLO 320DM (Colon adenocarcinoma cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80120	Z80120	CHEMBL614285	DLD-1 (Colon adenocarcinoma cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80136	Z80136	CHEMBL614297	FM3A (Breast carcinoma cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80268	Z80268	CHEMBL614353	MKN-28 (Gastric epithelial carcinoma cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80269	Z80269	CHEMBL614354	MKN-45 (Gastric adenocarcinoma cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80347	Z80347	CHEMBL614208	NUGC-3 (Gastric carcinoma cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80525	Z80525	CHEMBL614055	SW48	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80532	Z80532	CHEMBL614774	T-24 (Bladder carcinoma cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80686	Z80686	CHEMBL614274	AZ-521 cell line	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81121	Z81121	CHEMBL613996	KKLS cell line	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81170	Z81170	CHEMBL612518	LNCaP (Prostate carcinoma)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81247	Z81247	CHEMBL399	HeLa (Cervical adenocarcinoma cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81330	Z81330	CHEMBL614304	SNU-	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81335	Z81335	CHEMBL612263	HCT-15 (Colon adenocarcinoma cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ANDR_HUMAN	P10275	CHEMBL1871	Androgen Receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50597	Z50597	CHEMBL376	Rattus norvegicus	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80156	Z80156	CHEMBL383	HL-60 (Promyeloblast leukemia cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80208	Z80208	CHEMBL614720	L5178Y (Lymphoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81048	Z81048	CHEMBL613973	TSU (Prostatic carcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81252	Z81252	CHEMBL400	MDA-MB-231 (Breast adenocarcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ALDR_HUMAN	P15121	CHEMBL1900	Aldose reductase	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
ANDR_MOUSE	P19091	CHEMBL3056	Androgen Receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
HCAR2_HUMAN	Q8TDS4	CHEMBL3785	Nicotinic acid receptor 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
P97706_RAT	P97706	CHEMBL4957	Sodium channel protein type VI alpha subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PGH1_HUMAN	P23219	CHEMBL221	Cyclooxygenase-1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PPARG_HUMAN	P37231	CHEMBL235	Peroxisome proliferator-activated receptor gamma	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
PRGR_HUMAN	P06401	CHEMBL208	Progesterone receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SCN2A_HUMAN	Q99250	CHEMBL4187	Sodium channel protein type II alpha subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SCN2A_RAT	P04775	CHEMBL3399	Sodium channel protein type II alpha subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
SCN5A_RAT	P15389	CHEMBL3866	Sodium channel protein type V alpha subunit	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TPOR_HUMAN	P40238	CHEMBL1864	Thrombopoietin receptor	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z103205	Z103205	CHEMBL1075390	A431	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z103419	Z103419	CHEMBL1075604	UACC-812	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50422	Z50422	CHEMBL612853	Entamoeba histolytica	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50459	Z50459	CHEMBL367	Leishmania donovani	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50468	Z50468	CHEMBL612652	Giardia intestinalis	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50472	Z50472	CHEMBL612888	Toxoplasma gondii	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50602	Z50602	CHEMBL377	Human herpesvirus 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80005	Z80005	CHEMBL614077	3T3 (Fibroblast cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80035	Z80035	CHEMBL381	B16 (Melanoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80054	Z80054	CHEMBL614058	Caco-2 (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80088	Z80088	CHEMBL613853	CHO (Ovarian cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80125	Z80125	CHEMBL613508	DU-145 (Prostate carcinoma)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80166	Z80166	CHEMBL384	HT-29 (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80192	Z80192	CHEMBL614709	KM12 (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80224	Z80224	CHEMBL387	MCF7 (Breast carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80243	Z80243	CHEMBL614334	MDA-MB-453 (Breast adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80362	Z80362	CHEMBL389	P388 (Lymphoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80390	Z80390	CHEMBL390	PC-3 (Prostate carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80453	Z80453	CHEMBL614897	SC-3	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80485	Z80485	CHEMBL614919	SK-MEL-28 (Melanoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80490	Z80490	CHEMBL614923	SK-MES-1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80526	Z80526	CHEMBL612544	SW480 (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80548	Z80548	CHEMBL614245	THP-1 (Acute monocytic leukemia cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80583	Z80583	CHEMBL391	Vero (Kidney cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80641	Z80641	CHEMBL614254	791T cell line	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80653	Z80653	CHEMBL613105	9L (Glioma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80712	Z80712	CHEMBL614361	T47D (Breast carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80724	Z80724	CHEMBL614705	C170 cell line	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80742	Z80742	CHEMBL614657	C6 (Glioma cells)	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
Z81020	Z81020	CHEMBL395	HepG2 (Hepatoblastoma 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
Z81041	Z81041	CHEMBL612424	Prostatic carcinoma cells	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81043	Z81043	CHEMBL613969	N592	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81047	Z81047	CHEMBL614685	Human T-cell line	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81115	Z81115	CHEMBL398	KB (Squamous cell carcinoma)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81137	Z81137	CHEMBL612267	L929 (Fibroblast cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81138	Z81138	CHEMBL613872	ScN2a (Scrapie-infected neuroblastoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81331	Z81331	CHEMBL612262	SW-620 (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase