Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50329597'   

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))	BDBM50329597 (CHEMBL1270243 | N-(Piperidino-1-ethyl)-1-[4-(amino...) Show SMILES Cc1c(cc(-c2ccccc2)n1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCN1CCCCC1 Show InChI InChI=1S/C25H30N4O3S/c1-19-23(25(30)27-14-17-28-15-6-3-7-16-28)18-24(20-8-4-2-5-9-20)29(19)21-10-12-22(13-11-21)33(26,31)32/h2,4-5,8-13,18H,3,6-7,14-17H2,1H3,(H,27,30)(H2,26,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	89	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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