Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50165734'   

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))	BDBM50165734 (3-(4-(phenylsulfonyl)phenyl)-4-propyl-1H-1,2,4-tri...) Show SMILES CCCn1c(n[nH]c1=S)-c1ccc(cc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C17H17N3O2S2/c1-2-12-20-16(18-19-17(20)23)13-8-10-15(11-9-13)24(21,22)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,19,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bucharest Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase I				Bioorg Med Chem Lett 15: 2347-52 (2005) Article DOI: 10.1016/j.bmcl.2005.02.088 BindingDB Entry DOI: 10.7270/Q2348JW7
					More data for this Ligand-Target Pair