Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50197820'   

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))	BDBM50197820 (CHEMBL3933768) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CN(Cc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)c2ccccc2)nn1 Show InChI InChI=1S/C24H23N9O4S2/c25-38(34,35)23-10-6-21(7-11-23)32-16-18(27-29-32)14-31(20-4-2-1-3-5-20)15-19-17-33(30-28-19)22-8-12-24(13-9-22)39(26,36)37/h1-13,16-17H,14-15H2,(H2,25,34,35)(H2,26,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 pre-incubated for 15 mins by stopped flow carbon dioxide hydrase assay				J Med Chem 59: 10692-10704 (2016) Article DOI: 10.1021/acs.jmedchem.6b01389 BindingDB Entry DOI: 10.7270/Q2Q81G1H
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