Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50428381'   

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))	BDBM50428381 (CHEMBL2333961) Show SMILES Cc1cc(C)[n+](c(C)c1)-c1cc(O)ccc1Cl |(71.56,-44.69,;72.9,-45.46,;74.23,-44.69,;75.56,-45.45,;76.89,-44.68,;75.57,-47,;74.23,-47.78,;74.23,-49.32,;72.9,-47.01,;76.9,-47.77,;78.22,-47,;79.56,-47.76,;80.89,-46.98,;79.56,-49.31,;78.23,-50.08,;76.9,-49.31,;75.56,-50.08,)| Show InChI InChI=1S/C14H14ClNO/c1-9-6-10(2)16(11(3)7-9)14-8-12(17)4-5-13(14)15/h4-8H,1-3H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1564-9 (2013) Article DOI: 10.1016/j.bmc.2012.05.019 BindingDB Entry DOI: 10.7270/Q29888CF
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