Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50399078'   

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))	BDBM50399078 (CHEMBL2179307) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc2CSc3cc(Cl)ccc3-c12 Show InChI InChI=1S/C16H12ClN3O2S2/c17-11-1-6-14-15(7-11)23-9-10-8-19-20(16(10)14)12-2-4-13(5-3-12)24(18,21)22/h1-8H,9H2,(H2,18,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.85E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 catalytic domain pre-incubated for 15 mins by stopped-flow CO2 hydration method				J Med Chem 55: 9619-29 (2012) Article DOI: 10.1021/jm300878g BindingDB Entry DOI: 10.7270/Q29S1S5G
					More data for this Ligand-Target Pair