Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50130746'   

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))	BDBM50130746 (CHEMBL3633385) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C(=O)N\N=C2/C(=O)Nc3ccc(Br)cc23)c1-c1ccccc1 Show InChI InChI=1S/C24H17BrN6O4S/c25-15-6-11-20-18(12-15)21(24(33)28-20)29-30-23(32)19-13-27-31(22(19)14-4-2-1-3-5-14)16-7-9-17(10-8-16)36(26,34)35/h1-13H,(H,30,32)(H2,26,34,35)(H,28,29,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.80	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 human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay				Eur J Med Chem 103: 583-93 (2015) Article DOI: 10.1016/j.ejmech.2015.09.021 BindingDB Entry DOI: 10.7270/Q2HH6MX8
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