Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM12144'   

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 9 (Homo sapiens (Human))	BDBM12144 (4-(N-(4-benzyloxyphenyl)aminocarbonyl-hydrazinocar...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=O)Nc1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C21H20N4O5S/c22-31(28,29)19-12-6-16(7-13-19)20(26)24-25-21(27)23-17-8-10-18(11-9-17)30-14-15-4-2-1-3-5-15/h1-13H,14H2,(H,24,26)(H2,22,28,29)(H2,23,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 48: 2121-5 (2005) Article DOI: 10.1021/jm0494826 BindingDB Entry DOI: 10.7270/Q25X275C
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