Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50456992'   

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))	BDBM50456992 (CHEMBL4214360) Show SMILES NS(=O)(=O)c1cccc(c1)\N=C1/NC(=O)\C(S1)=C1\C(=O)Nc2ccc(Br)cc12 Show InChI InChI=1S/C17H11BrN4O4S2/c18-8-4-5-12-11(6-8)13(15(23)21-12)14-16(24)22-17(27-14)20-9-2-1-3-10(7-9)28(19,25)26/h1-7H,(H,21,23)(H2,19,25,26)(H,20,22,24)/b14-13-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kafrelsheikh University Curated by ChEMBL					Assay Description Inhibition of human transmembrane carbonic anhydrase 9 by stopped-flow CO2 hydrase assay				Eur J Med Chem 139: 250-262 (2017) Article DOI: 10.1016/j.ejmech.2017.07.073 BindingDB Entry DOI: 10.7270/Q22F7R2C
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