Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50211837'   

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 1 (Homo sapiens (Human))	BDBM50211837 (2-[(1E)-{[2-(4-sulfamoylphenyl)ethyl]imino}methyl]...) Show SMILES NS(=O)(=O)c1ccc(CCN=Cc2ccccc2OC(=O)NS(=O)(=O)c2ccccc2)cc1 |w:11.11| Show InChI InChI=1S/C22H21N3O6S2/c23-32(27,28)19-12-10-17(11-13-19)14-15-24-16-18-6-4-5-9-21(18)31-22(26)25-33(29,30)20-7-2-1-3-8-20/h1-13,16H,14-15H2,(H,25,26)(H2,23,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	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 1				Bioorg Med Chem 15: 4336-50 (2007) Article DOI: 10.1016/j.bmc.2007.04.020 BindingDB Entry DOI: 10.7270/Q28916QG
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