Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50065651'   

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))	BDBM50065651 (CHEMBL3402844) Show SMILES COC(=O)c1cccc(c1)-c1ccc2OS(=O)(=O)C=Cc2c1 |c:19| Show InChI InChI=1S/C16H12O5S/c1-20-16(17)14-4-2-3-11(10-14)12-5-6-15-13(9-12)7-8-22(18,19)21-15/h2-10H,1H3	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
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydrase assay				Bioorg Med Chem 23: 1430-6 (2015) Article DOI: 10.1016/j.bmc.2015.02.023 BindingDB Entry DOI: 10.7270/Q2W66NFQ
					More data for this Ligand-Target Pair