Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50258761'   

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))	BDBM50258761 (1-(4'-Aminophenyl)-6,7-dimethoxy-3,4-dihydroisoqui...) Show SMILES COc1cc2CCN(C(c3ccc(N)cc3)c2cc1OC)S(N)(=O)=O Show InChI InChI=1S/C17H21N3O4S/c1-23-15-9-12-7-8-20(25(19,21)22)17(14(12)10-16(15)24-2)11-3-5-13(18)6-4-11/h3-6,9-10,17H,7-8,18H2,1-2H3,(H2,19,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Messina Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 catalytic domain by stopped flow CO2 hydration method				Bioorg Med Chem 17: 3659-64 (2009) Article DOI: 10.1016/j.bmc.2009.03.066 BindingDB Entry DOI: 10.7270/Q21R6RFQ
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