Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 4' and Ligand = 'BDBM50317405'   

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))	BDBM50317405 (5-(Aminosulfonyl)-2-[(3,4-difluorophenyl)thio]-N-(...) Show SMILES COc1ccc(CNC(=O)c2cc(cnc2Sc2ccc(F)c(F)c2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C20H17F2N3O4S2/c1-29-13-4-2-12(3-5-13)10-24-19(26)16-9-15(31(23,27)28)11-25-20(16)30-14-6-7-17(21)18(22)8-14/h2-9,11H,10H2,1H3,(H,24,26)(H2,23,27,28)	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	46.8	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)