Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50157951'   

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))	BDBM50157951 (3-Morpholin-4-yl-N-(4-sulfamoyl-phenyl)-propionami...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCN2CCOCC2)cc1 Show InChI InChI=1S/C13H19N3O4S/c14-21(18,19)12-3-1-11(2-4-12)15-13(17)5-6-16-7-9-20-10-8-16/h1-4H,5-10H2,(H,15,17)(H2,14,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harran University Curated by ChEMBL					Assay Description Inhibitory potency against human cloned Carbonic anhydrase I expressed in Escherichia coli strain BL21				Bioorg Med Chem Lett 15: 367-72 (2004) Article DOI: 10.1016/j.bmcl.2004.10.070 BindingDB Entry DOI: 10.7270/Q2B858WB
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