Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50147188'   

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))	BDBM50147188 (CHEMBL3764056) Show SMILES Cc1ccc2NC(=O)\C(=N/c3ccc(NC(=O)Nc4ccc(cc4)S(N)(=O)=O)cc3)c2c1 Show InChI InChI=1S/C22H19N5O4S/c1-13-2-11-19-18(12-13)20(21(28)27-19)24-14-3-5-15(6-4-14)25-22(29)26-16-7-9-17(10-8-16)32(23,30)31/h2-12H,1H3,(H2,23,30,31)(H,24,27,28)(H2,25,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay				Eur J Med Chem 110: 259-66 (2016) Article DOI: 10.1016/j.ejmech.2016.01.030 BindingDB Entry DOI: 10.7270/Q2D79D8Q
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