Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50167422'   

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))	BDBM50167422 (CHEMBL196462 | sulfanilamide derivative ) Show SMILES NS(=O)(=O)c1ccc(CN2CC3=COc4ccccc4C3O[Zn]22(Cl)(Cl)OC3C(CN2Cc2ccc(cc2)S(N)(=O)=O)=COc2ccccc32)cc1 |c:45,t:11| Show InChI InChI=1S/2C17H16N2O4S.2ClH.Zn/c2*18-24(21,22)14-7-5-12(6-8-14)9-19-10-13-11-23-16-4-2-1-3-15(16)17(13)20;;;/h2*1-8,11,17H,9-10H2,(H2,18,21,22);2*1H;/q2*-2;;;+6/p-2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ospedale San Lazzaro Curated by ChEMBL					Assay Description Inhibition constant against human carbonic anhydrase IX				Bioorg Med Chem Lett 15: 3096-101 (2005) Article DOI: 10.1016/j.bmcl.2005.04.055 BindingDB Entry DOI: 10.7270/Q27M07FQ
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