Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM237336'   

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))	BDBM237336 (4-Sulfamoyl-N-(3-morpholinopropyl)benzamide (I-1)) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCCCN1CCOCC1 Show InChI InChI=1S/C14H21N3O4S/c15-22(19,20)13-4-2-12(3-5-13)14(18)16-6-1-7-17-8-10-21-11-9-17/h2-5H,1,6-11H2,(H,16,18)(H2,15,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	231	n/a	n/a	n/a	n/a	7.5	25
Università di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 289-93 (2013) Article DOI: 10.3109/14756366.2011.649269 BindingDB Entry DOI: 10.7270/Q2Z89B9N
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