Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50425896'   

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
Cathepsin S (Homo sapiens (Human))	BDBM50425896 (CHEMBL2312999) Show SMILES NC(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)C(F)(F)F)-c1ccc(Cl)c(c1)C#Cc1ccc(CNCc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C38H39Cl2F3N6O/c39-32-11-7-28(8-12-32)24-45-23-27-4-2-26(3-5-27)6-9-29-22-30(10-13-34(29)40)36-33-25-48(37(44)50)21-16-35(33)49(46-36)18-1-17-47-19-14-31(15-20-47)38(41,42)43/h2-5,7-8,10-13,22,31,45H,1,14-21,23-25H2,(H2,44,50)	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	60	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, L.L.C. Curated by ChEMBL					Assay Description Inhibition of human cathepsin S				Bioorg Med Chem Lett 23: 1070-4 (2013) Article DOI: 10.1016/j.bmcl.2012.12.014 BindingDB Entry DOI: 10.7270/Q2T43VD9
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50425896 (CHEMBL2312999) Show SMILES NC(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)C(F)(F)F)-c1ccc(Cl)c(c1)C#Cc1ccc(CNCc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C38H39Cl2F3N6O/c39-32-11-7-28(8-12-32)24-45-23-27-4-2-26(3-5-27)6-9-29-22-30(10-13-34(29)40)36-33-25-48(37(44)50)21-16-35(33)49(46-36)18-1-17-47-19-14-31(15-20-47)38(41,42)43/h2-5,7-8,10-13,22,31,45H,1,14-21,23-25H2,(H2,44,50)	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	690	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, L.L.C. Curated by ChEMBL					Assay Description Inhibition of cathepsin S in human JY cells assessed as invariant chain-li degradation				Bioorg Med Chem Lett 23: 1070-4 (2013) Article DOI: 10.1016/j.bmcl.2012.12.014 BindingDB Entry DOI: 10.7270/Q2T43VD9
					More data for this Ligand-Target Pair