BDBM50012618 3-hydroxy-6-methyl-4-[2-methyl-1-[2-methyl-1-benzyloxycarboxamido-(1S)-propylcarboxamido]-(1S)-propylcarboxamido]heptanoic acid::CHEMBL73985

SMILES: CC(C)CC(NC(=O)[C@@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C)C(O)CC(O)=O

InChI Key: InChIKey=ALIXZKUBHDEEGT-ZYFYDLNSSA-N

Data: 1 KI  1 IC50

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 = 50012618   

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)	BDBM50012618 (3-hydroxy-6-methyl-4-[2-methyl-1-[2-methyl-1-benzy...) Show SMILES CC(C)CC(NC(=O)[C@@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C)C(O)CC(O)=O Show InChI InChI=1S/C26H41N3O7/c1-15(2)12-19(20(30)13-21(31)32)27-24(33)22(16(3)4)28-25(34)23(17(5)6)29-26(35)36-14-18-10-8-7-9-11-18/h7-11,15-17,19-20,22-23,30H,12-14H2,1-6H3,(H,27,33)(H,28,34)(H,29,35)(H,31,32)/t19?,20?,22-,23+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	3.94E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Compound was measured for the apparent inhibition constant at pepsin				J Med Chem 34: 2298-300 (1991) BindingDB Entry DOI: 10.7270/Q28G8JPJ
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM50012618 (3-hydroxy-6-methyl-4-[2-methyl-1-[2-methyl-1-benzy...) Show SMILES CC(C)CC(NC(=O)[C@@H](NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C)C(O)CC(O)=O Show InChI InChI=1S/C26H41N3O7/c1-15(2)12-19(20(30)13-21(31)32)27-24(33)22(16(3)4)28-25(34)23(17(5)6)29-26(35)36-14-18-10-8-7-9-11-18/h7-11,15-17,19-20,22-23,30H,12-14H2,1-6H3,(H,27,33)(H,28,34)(H,29,35)(H,31,32)/t19?,20?,22-,23+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas Curated by ChEMBL					Assay Description Compound was measured for the inhibition of pepsin hydrolysis of hemoglobin.				J Med Chem 34: 2298-300 (1991) BindingDB Entry DOI: 10.7270/Q28G8JPJ
					More data for this Ligand-Target Pair