Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50154336'   

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))	BDBM50154336 ((S)-3-Phenyl-2-[3-(4-sulfamoyl-phenyl)-thioureido]...) Show SMILES CNC(=O)COC(=O)[C@H](Cc1ccccc1)NC(=S)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H22N4O5S2/c1-21-17(24)12-28-18(25)16(11-13-5-3-2-4-6-13)23-19(29)22-14-7-9-15(10-8-14)30(20,26)27/h2-10,16H,11-12H2,1H3,(H,21,24)(H2,20,26,27)(H2,22,23,29)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibitory activity against human Carbonic anhydrase I				J Med Chem 47: 5224-9 (2004) Article DOI: 10.1021/jm049692i BindingDB Entry DOI: 10.7270/Q24F1RHJ
					More data for this Ligand-Target Pair