Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 4' and Ligand = 'BDBM50317410'   

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))	BDBM50317410 (CHEMBL1099151 | N-(3-Aminopropyl)-5-(aminosulfonyl...) Show SMILES NCCCCNC(=O)c1cc(cnc1Sc1c(F)c(F)cc(F)c1F)S(N)(=O)=O Show InChI InChI=1S/C16H16F4N4O3S2/c17-10-6-11(18)13(20)14(12(10)19)28-16-9(15(25)23-4-2-1-3-21)5-8(7-24-16)29(22,26)27/h5-7H,1-4,21H2,(H,23,25)(H2,22,26,27)	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	33.1	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)