Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50280336'   

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))	BDBM50280336 (CHEMBL4165727) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(Cn2ccc(=O)[nH]c2=O)nn1 Show InChI InChI=1S/C13H12N6O4S/c14-24(22,23)11-3-1-10(2-4-11)19-8-9(16-17-19)7-18-6-5-12(20)15-13(18)21/h1-6,8H,7H2,(H2,14,22,23)(H,15,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 15 mins by stopped flow CO2 hydrase assay				ACS Med Chem Lett 8: 1314-1319 (2017) Article DOI: 10.1021/acsmedchemlett.7b00399 BindingDB Entry DOI: 10.7270/Q29P345B
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