Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50096137'   

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))	BDBM50096137 (CHEMBL3593609) Show SMILES CC(C)c1ccc(-c2cc(n[nH]2)C(O)=O)c(c1)C(C)C Show InChI InChI=1S/C16H20N2O2/c1-9(2)11-5-6-12(13(7-11)10(3)4)14-8-15(16(19)20)18-17-14/h5-10H,1-4H3,(H,17,18)(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Belgrade Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method				Bioorg Med Chem 23: 4649-59 (2015) Article DOI: 10.1016/j.bmc.2015.05.052 BindingDB Entry DOI: 10.7270/Q2X068SW
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