BDBM50025535 CHEMBL314272::CHEMBL3392093::[1-(1-{1-Benzyl-2-methyl-3-[1-(3-methyl-butylcarbamoyl)-ethylcarbamoyl]-propylcarbamoyl}-2-methyl-propylcarbamoyl)-2-methyl-propyl]-carbamic acid tert-butyl ester

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

InChI Key: InChIKey=YDGPAIMBSACIBH-ARUOENDNSA-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 = 50025535   

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)	BDBM50025535 (CHEMBL3392093 | [1-(1-{1-Benzyl-2-methyl-3-[1-(3-m...) Show SMILES CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](C)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C Show InChI InChI=1S/C35H59N5O6/c1-21(2)17-18-36-31(42)25(8)37-28(41)19-24(7)27(20-26-15-13-12-14-16-26)38-32(43)29(22(3)4)39-33(44)30(23(5)6)40-34(45)46-35(9,10)11/h12-16,21-25,27,29-30H,17-20H2,1-11H3,(H,36,42)(H,37,41)(H,38,43)(H,39,44)(H,40,45)/t24-,25?,27?,29?,30-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	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
					More data for this Ligand-Target Pair