Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50329604'   

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))	BDBM50329604 (CHEMBL1270632 | N-[2-(4-Methylpiperazino)ethyl]-1-...) Show SMILES CN1CCN(CCNC(=O)c2cc(-c3ccc4ccccc4c3)n(c2C)-c2ccc(cc2)S(N)(=O)=O)CC1 Show InChI InChI=1S/C29H33N5O3S/c1-21-27(29(35)31-13-14-33-17-15-32(2)16-18-33)20-28(24-8-7-22-5-3-4-6-23(22)19-24)34(21)25-9-11-26(12-10-25)38(30,36)37/h3-12,19-20H,13-18H2,1-2H3,(H,31,35)(H2,30,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	126	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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