Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50055892'   

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 D (Homo sapiens (Human))	BDBM50055892 (CHEMBL3321931 | US9884814, Compound 44) Show SMILES COc1cc(CNC(=O)[C@@H](CC(C)C)NC(=N)NC(=O)Cc2ccc(OC)c(OC)c2)ccc1F |r| Show InChI InChI=1S/C25H33FN4O5/c1-15(2)10-19(24(32)28-14-17-6-8-18(26)21(12-17)34-4)29-25(27)30-23(31)13-16-7-9-20(33-3)22(11-16)35-5/h6-9,11-12,15,19H,10,13-14H2,1-5H3,(H,28,32)(H3,27,29,30,31)/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin D using MCA-labeled GKPILFFRLK(Dnp)-D-R-NH2 peptide by fluorescence-based assay				Bioorg Med Chem Lett 24: 4141-50 (2014) Article DOI: 10.1016/j.bmcl.2014.07.054 BindingDB Entry DOI: 10.7270/Q2W95BV1
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50055892 (CHEMBL3321931 | US9884814, Compound 44) Show SMILES COc1cc(CNC(=O)[C@@H](CC(C)C)NC(=N)NC(=O)Cc2ccc(OC)c(OC)c2)ccc1F |r| Show InChI InChI=1S/C25H33FN4O5/c1-15(2)10-19(24(32)28-14-17-6-8-18(26)21(12-17)34-4)29-25(27)30-23(31)13-16-7-9-20(33-3)22(11-16)35-5/h6-9,11-12,15,19H,10,13-14H2,1-5H3,(H,28,32)(H3,27,29,30,31)/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	5.5	25
MERCK PATENT GMBH US Patent					Assay Description In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...				US Patent US9884814 (2018) BindingDB Entry DOI: 10.7270/Q25Q4Z3V
					More data for this Ligand-Target Pair
Cathepsin D (Bos taurus)	BDBM50055892 (CHEMBL3321931 | US9884814, Compound 44) Show SMILES COc1cc(CNC(=O)[C@@H](CC(C)C)NC(=N)NC(=O)Cc2ccc(OC)c(OC)c2)ccc1F |r| Show InChI InChI=1S/C25H33FN4O5/c1-15(2)10-19(24(32)28-14-17-6-8-18(26)21(12-17)34-4)29-25(27)30-23(31)13-16-7-9-20(33-3)22(11-16)35-5/h6-9,11-12,15,19H,10,13-14H2,1-5H3,(H,28,32)(H3,27,29,30,31)/t19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of cathepsin D in bovine cartilage explants assessed as reduction in sulphated GAGs level after 3 days by spectrophotometric 1,9-dimethylm...				Bioorg Med Chem Lett 24: 4141-50 (2014) Article DOI: 10.1016/j.bmcl.2014.07.054 BindingDB Entry DOI: 10.7270/Q2W95BV1
					More data for this Ligand-Target Pair