Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50211834'   

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))	BDBM50211834 (2-[(1E)-{[2-(4-sulfamoylphenyl)ethyl]imino}methyl]...) Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Oc1ccccc1C=NCCc1ccc(cc1)S(N)(=O)=O |w:20.21| Show InChI InChI=1S/C23H23N3O6S2/c1-17-6-10-21(11-7-17)34(30,31)26-23(27)32-22-5-3-2-4-19(22)16-25-15-14-18-8-12-20(13-9-18)33(24,28)29/h2-13,16H,14-15H2,1H3,(H,26,27)(H2,24,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	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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