BDBM50146020 2-Amino-N-(5-{[2-amino-3-(4-hydroxy-phenyl)-propionylamino]-methyl}-3-methyl-6-oxo-1,6-dihydro-pyrazin-2-ylmethyl)-3-(4-hydroxy-phenyl)-propionamide; dihydrochloride::CHEMBL3215757::CHEMBL538774

SMILES: Cl.Cl.Cc1nc(CNC(=O)C(N)Cc2ccc(O)cc2)c(=O)[nH]c1CNC(=O)C(N)Cc1ccc(O)cc1

InChI Key: InChIKey=XKLYGRJCQZRFPN-UHFFFAOYSA-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 = 50146020   

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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50146020 (2-Amino-N-(5-{[2-amino-3-(4-hydroxy-phenyl)-propio...) Show SMILES Cl.Cl.Cc1nc(CNC(=O)C(N)Cc2ccc(O)cc2)c(=O)[nH]c1CNC(=O)C(N)Cc1ccc(O)cc1 Show InChI InChI=1S/C25H30N6O5/c1-14-21(12-28-23(34)19(26)10-15-2-6-17(32)7-3-15)31-25(36)22(30-14)13-29-24(35)20(27)11-16-4-8-18(33)9-5-16/h2-9,19-20,32-33H,10-13,26-27H2,1H3,(H,28,34)(H,29,35)(H,31,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Environmental Health Sciences Curated by ChEMBL					Assay Description Compound was tested for binding affinity towards Opioid receptor mu 1 by displacing [3H]DAGO radioligand in rat brain P2 synaptosomes membranes.				J Med Chem 47: 2599-610 (2004) Article DOI: 10.1021/jm0304616 BindingDB Entry DOI: 10.7270/Q2RB755V
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50146020 (2-Amino-N-(5-{[2-amino-3-(4-hydroxy-phenyl)-propio...) Show SMILES Cl.Cl.Cc1nc(CNC(=O)C(N)Cc2ccc(O)cc2)c(=O)[nH]c1CNC(=O)C(N)Cc1ccc(O)cc1 Show InChI InChI=1S/C25H30N6O5/c1-14-21(12-28-23(34)19(26)10-15-2-6-17(32)7-3-15)31-25(36)22(30-14)13-29-24(35)20(27)11-16-4-8-18(33)9-5-16/h2-9,19-20,32-33H,10-13,26-27H2,1H3,(H,28,34)(H,29,35)(H,31,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.83E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Environmental Health Sciences Curated by ChEMBL					Assay Description Compound was tested for binding affinity towards opioid receptor delta 1 by displacing [3H]DPDPE radioligand in rat brain P2 synaptosomes membranes.				J Med Chem 47: 2599-610 (2004) Article DOI: 10.1021/jm0304616 BindingDB Entry DOI: 10.7270/Q2RB755V
					More data for this Ligand-Target Pair