Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50492588'   

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))	BDBM50492588 (CHEMBL2408084) Show SMILES Cc1cc(NS(=O)(=O)c2ccc(cc2)\N=C\c2c(Cl)c3cc(cc(c3oc2=O)C(C)(C)C)C(C)(C)C)no1 Show InChI InChI=1S/C28H30ClN3O5S/c1-16-12-23(31-37-16)32-38(34,35)19-10-8-18(9-11-19)30-15-21-24(29)20-13-17(27(2,3)4)14-22(28(5,6)7)25(20)36-26(21)33/h8-15H,1-7H3,(H,31,32)/b30-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA9 using 4-nitrophenylacetate as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay				Eur J Med Chem 66: 1-11 (2013) Article DOI: 10.1016/j.ejmech.2013.04.035 BindingDB Entry DOI: 10.7270/Q2M61P55
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