Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM16061'   

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))	BDBM16061 ((2R,3S)-3-[(1S,2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4...) Show SMILES [H][C@]1(CCO[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCCCC)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C33H61N5O7S/c1-10-11-14-34-32(43)27(21(6)7)38-33(44)29-23(12-15-45-29)28(40)25(17-19(2)3)37-30(41)24(13-16-46-9)36-31(42)26(18-20(4)5)35-22(8)39/h19-21,23-29,40H,10-18H2,1-9H3,(H,34,43)(H,35,39)(H,36,42)(H,37,41)(H,38,44)/t23-,24-,25-,26-,27-,28-,29+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	25
Universite de Montreal at Succursale Centre-Ville					Assay Description Inhibition assays were done in black 96-well plates by adding test compounds to the respective enzyme in assay buffer. Plates were incubated at room ...				J Med Chem 48: 5175-90 (2005) Article DOI: 10.1021/jm050142+ BindingDB Entry DOI: 10.7270/Q2WM1BPC
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