Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM150255'   

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))	BDBM150255 (US8980932, 4b (DH304)) Show SMILES NS(=O)(=O)c1ccc(CNC(=O)Cn2ccnc2[N+]([O-])=O)cc1 Show InChI InChI=1S/C12H13N5O5S/c13-23(21,22)10-3-1-9(2-4-10)7-15-11(18)8-16-6-5-14-12(16)17(19)20/h1-6H,7-8H2,(H,15,18)(H2,13,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of recombinant human catalytic domain of carbonic anhydrase-9 preincubated for 15 mins by stopped-flow CO2 hydration assay				J Med Chem 56: 8512-20 (2013) Article DOI: 10.1021/jm4009532 BindingDB Entry DOI: 10.7270/Q2GQ71QP
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Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM150255 (US8980932, 4b (DH304)) Show SMILES NS(=O)(=O)c1ccc(CNC(=O)Cn2ccnc2[N+]([O-])=O)cc1 Show InChI InChI=1S/C12H13N5O5S/c13-23(21,22)10-3-1-9(2-4-10)7-15-11(18)8-16-6-5-14-12(16)17(19)20/h1-6H,7-8H2,(H,15,18)(H2,13,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.90	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Stichting Maastricht Radiation Oncology “Maastro-Clinic”; Université Montpellier 2 Sciences et Techniques US Patent					Assay Description The inhibition constants (K) the compounds for four CA isozymes, CA I, II, IX and XII were determined. An Applied Photophysics (Oxford, UK) stopped-f...				US Patent US8980932 (2015) BindingDB Entry DOI: 10.7270/Q2GX499J
					More data for this Ligand-Target Pair