Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50329586'   

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))	BDBM50329586 (CHEMBL1271040 | N3-[3-(Dimethylamino)propyl]-1-[4-...) Show SMILES CN(C)CCCNC(=O)c1cc(-c2ccc(cc2)-c2ccccc2)n(c1C)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C29H32N4O3S/c1-21-27(29(34)31-18-7-19-32(2)3)20-28(33(21)25-14-16-26(17-15-25)37(30,35)36)24-12-10-23(11-13-24)22-8-5-4-6-9-22/h4-6,8-17,20H,7,18-19H2,1-3H3,(H,31,34)(H2,30,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	111	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
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