BDBM50025536 (1-{1-Benzyl-2-methyl-3-[1-(3-methyl-butylcarbamoyl)-ethylcarbamoyl]-propylcarbamoyl}-2-methyl-propyl)-carbamic acid tert-butyl ester::CHEMBL3392092::CHEMBL86251

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

InChI Key: InChIKey=WCNDFBSZABDLKV-VMITXTRHSA-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 = 50025536   

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)	BDBM50025536 ((1-{1-Benzyl-2-methyl-3-[1-(3-methyl-butylcarbamoy...) Show SMILES CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](C)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C Show InChI InChI=1S/C30H50N4O5/c1-19(2)15-16-31-27(36)22(6)32-25(35)17-21(5)24(18-23-13-11-10-12-14-23)33-28(37)26(20(3)4)34-29(38)39-30(7,8)9/h10-14,19-22,24,26H,15-18H2,1-9H3,(H,31,36)(H,32,35)(H,33,37)(H,34,38)/t21-,22?,24?,26-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	930	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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