Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50358920'   

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))	BDBM50358920 (CHEMBL1923677) Show SMILES COc1ccc2C(N(CCc2c1)S(N)(=O)=O)c1ccc(cc1)C#N Show InChI InChI=1S/C17H17N3O3S/c1-23-15-6-7-16-14(10-15)8-9-20(24(19,21)22)17(16)13-4-2-12(11-18)3-5-13/h2-7,10,17H,8-9H2,1H3,(H2,19,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Messina Curated by ChEMBL					Assay Description Inhibition of human CA9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 19: 7003-7 (2011) Article DOI: 10.1016/j.bmc.2011.10.015 BindingDB Entry DOI: 10.7270/Q2C24WV6
					More data for this Ligand-Target Pair