Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 4' and Ligand = 'BDBM50317408'   

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 4 (Homo sapiens (Human))	BDBM50317408 (5-(Aminosulfonyl)-2-[(3,4-difluorophenyl)thio]-N-(...) Show SMILES COCCCNC(=O)c1cc(cnc1Sc1ccc(F)c(F)c1)S(N)(=O)=O Show InChI InChI=1S/C16H17F2N3O4S2/c1-25-6-2-5-20-15(22)12-8-11(27(19,23)24)9-21-16(12)26-10-3-4-13(17)14(18)7-10/h3-4,7-9H,2,5-6H2,1H3,(H,20,22)(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	139	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of carbonic anhydrase 4				Bioorg Med Chem 18: 3307-19 (2010) Article DOI: 10.1016/j.bmc.2010.03.014 BindingDB Entry DOI: 10.7270/Q2SQ91B9
					More data for this Ligand-Target Pair				3D Structure (docked)