Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50492473'   

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))	BDBM50492473 (CHEMBL2402752) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)c(Br)c1 Show InChI InChI=1S/C14H12BrClN2O3S/c15-12-8-11(22(17,20)21)5-6-13(12)18-14(19)7-9-1-3-10(16)4-2-9/h1-6,8H,7H2,(H,18,19)(H2,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 5228-32 (2013) Article DOI: 10.1016/j.bmc.2013.06.029 BindingDB Entry DOI: 10.7270/Q2CJ8HFM
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