BDBM50025529 (1-{1-Benzyl-2-hydroxy-3-[1-(3-methyl-butylcarbamoyl)-ethylcarbamoyl]-propylcarbamoyl}-2-methyl-propyl)-carbamic acid tert-butyl ester::CHEMBL311234::CHEMBL3392087

SMILES: [H][C@](O)(CC(=O)N[C@@H](C)C(=O)NCCC(C)C)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C

InChI Key: InChIKey=KAVIURCQYOJSCT-QAJHKDKJSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50025529   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cathepsin D (Bos taurus)	BDBM50025529 ((1-{1-Benzyl-2-hydroxy-3-[1-(3-methyl-butylcarbamo...) Show SMILES [H][C@](O)(CC(=O)N[C@@H](C)C(=O)NCCC(C)C)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C Show InChI InChI=1S/C29H48N4O6/c1-18(2)14-15-30-26(36)20(5)31-24(35)17-23(34)22(16-21-12-10-9-11-13-21)32-27(37)25(19(3)4)33-28(38)39-29(6,7)8/h9-13,18-20,22-23,25,34H,14-17H2,1-8H3,(H,30,36)(H,31,35)(H,32,37)(H,33,38)/t20?,22?,23-,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of cathepsin D.				J Med Chem 29: 2519-24 (1987) BindingDB Entry DOI: 10.7270/Q2NZ887N
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