Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50080154'   

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))	BDBM50080154 (CHEMBL3416235) Show SMILES NS(=O)(=O)c1ccc(NC2=NC(=O)\C(S2)=C/c2coc3ccccc3c2=O)cc1 |t:9| Show InChI InChI=1S/C19H13N3O5S2/c20-29(25,26)13-7-5-12(6-8-13)21-19-22-18(24)16(28-19)9-11-10-27-15-4-2-1-3-14(15)17(11)23/h1-10H,(H2,20,25,26)(H,21,22,24)/b16-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cairo University Curated by ChEMBL					Assay Description Inhibition of human membrane associated form of carbonic anhydrase-9 assessed as CO2 hydration activity incubated for 15 mins prior to testing by sto...				Eur J Med Chem 96: 425-35 (2015) Article DOI: 10.1016/j.ejmech.2015.04.033 BindingDB Entry DOI: 10.7270/Q2T155BV
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