Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50329606'   

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))	BDBM50329606 (CHEMBL1270836 | N-(2-Morpholinoethyl)-1-[4-(aminos...) Show SMILES Cc1c(cc(-c2ccc3ccccc3c2)n1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C28H30N4O4S/c1-20-26(28(33)30-12-13-31-14-16-36-17-15-31)19-27(23-7-6-21-4-2-3-5-22(21)18-23)32(20)24-8-10-25(11-9-24)37(29,34)35/h2-11,18-19H,12-17H2,1H3,(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	22	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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