BDBM50146023 2-Amino-N-[2-(5-{2-[2-amino-3-(4-hydroxy-phenyl)-propionylamino]-ethyl}-3-methyl-6-oxo-1,6-dihydro-pyrazin-2-yl)-ethyl]-3-(4-hydroxy-phenyl)-propionamide; dihydrochloride::CHEMBL3215992::CHEMBL541063

SMILES: Cl.Cl.Cc1nc(CCNC(=O)C(N)Cc2ccc(O)cc2)c(=O)[nH]c1CCNC(=O)C(N)Cc1ccc(O)cc1

InChI Key: InChIKey=QKOQVYQIHHJNRR-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 = 50146023   

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))	BDBM50146023 (2-Amino-N-[2-(5-{2-[2-amino-3-(4-hydroxy-phenyl)-p...) Show SMILES Cl.Cl.Cc1nc(CCNC(=O)C(N)Cc2ccc(O)cc2)c(=O)[nH]c1CCNC(=O)C(N)Cc1ccc(O)cc1 Show InChI InChI=1S/C27H34N6O5/c1-16-23(10-12-30-25(36)21(28)14-17-2-6-19(34)7-3-17)33-27(38)24(32-16)11-13-31-26(37)22(29)15-18-4-8-20(35)9-5-18/h2-9,21-22,34-35H,10-15,28-29H2,1H3,(H,30,36)(H,31,37)(H,33,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	309	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))	BDBM50146023 (2-Amino-N-[2-(5-{2-[2-amino-3-(4-hydroxy-phenyl)-p...) Show SMILES Cl.Cl.Cc1nc(CCNC(=O)C(N)Cc2ccc(O)cc2)c(=O)[nH]c1CCNC(=O)C(N)Cc1ccc(O)cc1 Show InChI InChI=1S/C27H34N6O5/c1-16-23(10-12-30-25(36)21(28)14-17-2-6-19(34)7-3-17)33-27(38)24(32-16)11-13-31-26(37)22(29)15-18-4-8-20(35)9-5-18/h2-9,21-22,34-35H,10-15,28-29H2,1H3,(H,30,36)(H,31,37)(H,33,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90E+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