BDBM50025887 6-Methyl-4-{3-methyl-2-[3-methyl-2-(3-methyl-butyrylamino)-butyrylamino]-butyrylamino}-3-oxo-heptanoic acid [1-methyl-2-(4-methyl-pentanoylamino)-2-oxo-ethyl]-amide::CHEMBL314751

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

InChI Key: InChIKey=BQWLVWOYJNFKBV-BWAIROOZSA-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 = 50025887   

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)	BDBM50025887 (6-Methyl-4-{3-methyl-2-[3-methyl-2-(3-methyl-butyr...) Show SMILES CC(C)CCC(=O)NC(=O)[C@H](C)NC(=O)CC(=O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C Show InChI InChI=1S/C32H57N5O7/c1-17(2)12-13-25(39)36-30(42)22(11)33-27(41)16-24(38)23(14-18(3)4)34-31(43)29(21(9)10)37-32(44)28(20(7)8)35-26(40)15-19(5)6/h17-23,28-29H,12-16H2,1-11H3,(H,33,41)(H,34,43)(H,35,40)(H,37,44)(H,36,39,42)/t22-,23+,28-,29+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of porcine pepsin				J Med Chem 28: 263-73 (1985) BindingDB Entry DOI: 10.7270/Q2ST7NW6
					More data for this Ligand-Target Pair