Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50329585'   

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))	BDBM50329585 (CHEMBL1270939 | N3-[2-(Dimethylamino)ethyl]-1-[4-(...) Show SMILES CN(C)CCNC(=O)c1cc(-c2ccc(cc2)-c2ccccc2)n(c1C)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C28H30N4O3S/c1-20-26(28(33)30-17-18-31(2)3)19-27(32(20)24-13-15-25(16-14-24)36(29,34)35)23-11-9-22(10-12-23)21-7-5-4-6-8-21/h4-16,19H,17-18H2,1-3H3,(H,30,33)(H2,29,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay				Bioorg Med Chem 18: 7392-401 (2010) Article DOI: 10.1016/j.bmc.2010.09.007 BindingDB Entry DOI: 10.7270/Q23T9HGQ
					More data for this Ligand-Target Pair