Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50274100'   

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))	BDBM50274100 (5-((S)-2-{(3S,4S)-5-(3,5-Difluoro-benzyloxy)-3-hyd...) Show SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COCc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C43H47F2N5O12S/c1-23(2)38(41(55)47-33-15-29(42(56)57)14-30(16-33)43(58)59)49-37(52)20-36(51)35(22-62-21-25-11-31(44)19-32(45)12-25)48-40(54)28-13-27(17-34(18-28)50(4)63(5,60)61)39(53)46-24(3)26-9-7-6-8-10-26/h6-19,23-24,35-36,38,51H,20-22H2,1-5H3,(H,46,53)(H,47,55)(H,48,54)(H,49,52)(H,56,57)(H,58,59)/t24-,35+,36+,38+/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	440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibition of human cathepsin D				Bioorg Med Chem 16: 9471-86 (2008) Article DOI: 10.1016/j.bmc.2008.09.041 BindingDB Entry DOI: 10.7270/Q2VD6Z8Z
					More data for this Ligand-Target Pair