BDBM50025506 3-Hydroxy-4-(2-isobutyrylamino-3-methyl-butyrylamino)-6-methyl-heptanoic acid [1-(3-methyl-butylcarbamoyl)-ethyl]-amide::CHEMBL3392100::CHEMBL84939

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

InChI Key: InChIKey=GYFYDANKVUKCLT-PEVXEQIPSA-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 = 50025506   

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)	BDBM50025506 (3-Hydroxy-4-(2-isobutyrylamino-3-methyl-butyrylami...) Show SMILES [H][C@](O)(CC(=O)N[C@@H](C)C(=O)NCCC(C)C)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)C(C)(C)C)C(C)C Show InChI InChI=1S/C25H48N4O5/c1-14(2)10-11-26-24(33)18(9)27-21(31)13-20(30)19(12-15(3)4)28-25(34)22(16(5)6)29-23(32)17(7)8/h14-20,22,30H,10-13H2,1-9H3,(H,26,33)(H,27,31)(H,28,34)(H,29,32)/t18?,19?,20-,22+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	110	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