Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50428508'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50428508 (CHEMBL2336629) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(CO)cc1-c1ccc2c(ccc3ccccc23)c1 Show InChI InChI=1S/C24H19N3O3S/c25-31(29,30)21-10-8-20(9-11-21)27-24(14-19(15-28)26-27)18-7-12-23-17(13-18)6-5-16-3-1-2-4-22(16)23/h1-14,28H,15H2,(H2,25,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
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