Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50334351'   

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))	BDBM50334351 (4-(3-9H-fluoren-2-ylureido)benzenesulfonamide | 4-...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccc-3c(Cc4ccccc-34)c2)cc1 Show InChI InChI=1S/C20H17N3O3S/c21-27(25,26)17-8-5-15(6-9-17)22-20(24)23-16-7-10-19-14(12-16)11-13-3-1-2-4-18(13)19/h1-10,12H,11H2,(H2,21,25,26)(H2,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of tumor-associated human carbonic anhydrase 9 preincubated for 15 min by CO2 hydration assay				J Med Chem 54: 1896-902 (2011) Article DOI: 10.1021/jm101541x BindingDB Entry DOI: 10.7270/Q2CC110M
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