Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50154330'   

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))	BDBM50154330 ((S)-3-(1H-Indol-3-yl)-2-[3-(4-sulfamoyl-phenyl)-th...) Show SMILES NS(=O)(=O)c1ccc(NC(=S)N[C@@H](Cc2c[nH]c3ccccc23)C(O)=O)cc1 Show InChI InChI=1S/C18H18N4O4S2/c19-28(25,26)13-7-5-12(6-8-13)21-18(27)22-16(17(23)24)9-11-10-20-15-4-2-1-3-14(11)15/h1-8,10,16,20H,9H2,(H,23,24)(H2,19,25,26)(H2,21,22,27)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	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