Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM12415'   

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))	BDBM12415 (BR15 | copper(2+) ion 2-[(carboxylatomethyl)[(4-{[...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(CN(CC([O-])=O)CC([O-])=O)cc2)cc1 Show InChI InChI=1S/C20H23N3O7S/c21-31(29,30)17-7-3-14(4-8-17)9-10-22-20(28)16-5-1-15(2-6-16)11-23(12-18(24)25)13-19(26)27/h1-8H,9-13H2,(H,22,28)(H,24,25)(H,26,27)(H2,21,29,30)/p-2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	200	n/a	n/a	n/a	7.0	25
University of Pennsylvania					Assay Description The dissociation constant of the hCA and inhibitor complex was determined by competitive displacement of a fixed concentration of dansylamide by incr...				J Am Chem Soc 128: 3011-8 (2006) Article DOI: 10.1021/ja057257n BindingDB Entry DOI: 10.7270/Q2RR1WGF
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