BDBM50025519 4-[2-(2,2-Dimethyl-propionylamino)-3-methyl-butyrylamino]-3-hydroxy-6-methyl-heptanoic acid [1-(3-methyl-butylcarbamoyl)-ethyl]-amide::BDBM50028396::CHEMBL165690::CHEMBL85253

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

InChI Key: InChIKey=YPOJNUPLWCADQV-PEVXEQIPSA-N

Data: 2 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 2 hits for monomerid = 50025519   

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
Pepsin A (Porcine)	BDBM50025519 (4-[2-(2,2-Dimethyl-propionylamino)-3-methyl-butyry...) Show SMILES CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)C(C)C)C(C)C Show InChI InChI=1S/C26H50N4O5/c1-15(2)11-12-27-23(33)18(7)28-21(32)14-20(31)19(13-16(3)4)29-24(34)22(17(5)6)30-25(35)26(8,9)10/h15-20,22,31H,11-14H2,1-10H3,(H,27,33)(H,28,32)(H,29,34)(H,30,35)/t18?,19?,20-,22+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested for inhibition of carboxyl protease (pepsin) inhibition				J Med Chem 25: 791-5 (1982) BindingDB Entry DOI: 10.7270/Q2C828BB
					More data for this Ligand-Target Pair
Cathepsin D (Bos taurus)	BDBM50025519 (4-[2-(2,2-Dimethyl-propionylamino)-3-methyl-butyry...) Show SMILES CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)C(C)C)C(C)C Show InChI InChI=1S/C26H50N4O5/c1-15(2)11-12-27-23(33)18(7)28-21(32)14-20(31)19(13-16(3)4)29-24(34)22(17(5)6)30-25(35)26(8,9)10/h15-20,22,31H,11-14H2,1-10H3,(H,27,33)(H,28,32)(H,29,34)(H,30,35)/t18?,19?,20-,22+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	590	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