Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50054652'   

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))	BDBM50054652 (CHEMBL3323212) Show SMILES COc1ccc(cc1)S(=O)(=O)NNC(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C14H16N4O6S2/c1-24-11-4-8-13(9-5-11)26(22,23)18-17-14(19)16-10-2-6-12(7-3-10)25(15,20)21/h2-9,18H,1H3,(H2,15,20,21)(H2,16,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bharati Vidyapeeth's College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay				ACS Med Chem Lett 5: 793-6 (2014) Article DOI: 10.1021/ml500140t BindingDB Entry DOI: 10.7270/Q2RR20WF
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