Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50504289'   

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))	BDBM50504289 (CHEMBL4591855) Show SMILES NS(=O)(=O)c1ccc(C\N=C\c2cc(ccc2OCc2cn(CCCOc3ccc4ccc(=O)oc4c3)nn2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C29H26N6O8S/c30-44(39,40)26-8-2-20(3-9-26)16-31-17-22-14-24(35(37)38)6-10-27(22)42-19-23-18-34(33-32-23)12-1-13-41-25-7-4-21-5-11-29(36)43-28(21)15-25/h2-11,14-15,17-18H,1,12-13,16,19H2,(H2,30,39,40)/b31-17+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	857	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bezmialem Vakif University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 incubated for 10 mins prior to testing measured for 5 to 10 secs by phenol red-based stopped-flow CO2 hydrat...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111702 BindingDB Entry DOI: 10.7270/Q2NK3J8Q
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