ZINC 12

Navigation

• About

  • ZINC
  • BCIRC
  • Irwin Lab
  • Shoichet Lab
  • UCSF
  
  
  • Acknowledgements
  • Facts
  • Usage

• Search

  • By:
  • Text
  • Structure
  • Properties
  • Catalogs
  
  
  • ZINC
  • Targets
  • Rings
  • Combination

• Subsets

  • By:
  • Catalog
  • Property
  • Target
  • Ring
  • Cart

• Help

  • Introduction
  • FAQ
  • Scripting/API
  • Quick Search
  • Problems
  • Filtering
  • History

• Social

  • ZINC Fans
  • Decoy Club
  • DOCK Fans
  • Facebook
  • Twitter
  • Blog
  • Linkedin
• Quick Search

  ZINC ID or SMILES

• General
• Distributions & Clustering
• Downloads
• Targets
• Clustered Targets

EvoBlocks

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

Functional 10μM Targets with Highest Number of Available Compounds (38 in total)

Name (Uniprot)	Swissprot	ChEMBL	Description	Size	Browse	Download (Annotations)
Z80186	Z80186	CHEMBL385	K562 (Erythroleukemia cells)	11	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50587	Z50587	CHEMBL372	Homo sapiens	7	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50422	Z50422	CHEMBL612853	Entamoeba histolytica	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50425	Z50425	CHEMBL364	Plasmodium falciparum	6	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80224	Z80224	CHEMBL387	MCF7 (Breast carcinoma cells)	5	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80682	Z80682	CHEMBL392	A549 (Lung carcinoma cells)	4	Annotations Catalogs	SMILES SDF Mol2 Flexibase
TNR1A_HUMAN	P19438	CHEMBL3378	Tumor necrosis factor receptor R1	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50459	Z50459	CHEMBL367	Leishmania donovani	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80166	Z80166	CHEMBL384	HT-29 (Colon adenocarcinoma cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80874	Z80874	CHEMBL393	CEM (T-cell leukemia)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80928	Z80928	CHEMBL394	HCT-116 (Colon carcinoma cells)	3	Annotations Catalogs	SMILES SDF Mol2 Flexibase
GLR_HUMAN	P47871	CHEMBL1985	Glucagon receptor	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80362	Z80362	CHEMBL389	P388 (Lymphoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81011	Z81011	CHEMBL614840	human cell lines	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81335	Z81335	CHEMBL612263	HCT-15 (Colon adenocarcinoma cells)	2	Annotations Catalogs	SMILES SDF Mol2 Flexibase
EGFR_HUMAN	P00533	CHEMBL203	Epidermal growth factor receptor erbB1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
EGFR_MOUSE	Q01279	CHEMBL3608	Epidermal growth factor receptor erbB1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MK11_HUMAN	Q15759	CHEMBL3961	MAP kinase p38 beta	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MK12_HUMAN	P53778	CHEMBL4674	MAP kinase p38 gamma	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MK13_HUMAN	O15264	CHEMBL2939	MAP kinase p38 delta	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
MK14_HUMAN	Q16539	CHEMBL260	MAP kinase p38 alpha	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
NOS2_MOUSE	P29477	CHEMBL3464	Nitric oxide synthase, inducible	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100081	Z100081	CHEMBL613107	PBMC (Peripheral blood mononuclear cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z100492	Z100492	CHEMBL613878	MCF10 (Normal breast epithelial cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z102213	Z102213	CHEMBL613416	Blood	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50460	Z50460	CHEMBL612879	Leishmania major	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z50607	Z50607	CHEMBL378	Human immunodeficiency virus 1	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80037	Z80037	CHEMBL614065	Balb/MK	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80356	Z80356	CHEMBL614214	OVCAR-5 (Ovarian adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80482	Z80482	CHEMBL614917	SK-MEL-2 (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
Z80523	Z80523	CHEMBL614944	SW1353	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80548	Z80548	CHEMBL614245	THP-1 (Acute monocytic leukemia cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80712	Z80712	CHEMBL614361	T47D (Breast carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z80945	Z80945	CHEMBL614735	HEp-2 (Laryngeal carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81034	Z81034	CHEMBL614004	A2780 (Ovarian carcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81051	Z81051	CHEMBL613974	Human Tumor Cell lines	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase
Z81331	Z81331	CHEMBL612262	SW-620 (Colon adenocarcinoma cells)	1	Annotations Catalogs	SMILES SDF Mol2 Flexibase