BDBM50080452 (S)-2-({2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]-1,2,3,4-tetrahydro-isoquinolin-3-ylmethyl}-amino)-N-((S)-1-carbamoyl-2-phenyl-ethyl)-3-phenyl-propionamide::CHEMBL332803

SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2CC1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=OTGMDPZBQYYTPF-OCSVHVNCSA-N

Data: 3 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 3 hits for monomerid = 50080452   

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
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50080452 ((S)-2-({2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propio...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2CC1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C37H41N5O4/c38-32(19-27-15-17-31(43)18-16-27)37(46)42-24-29-14-8-7-13-28(29)22-30(42)23-40-34(21-26-11-5-2-6-12-26)36(45)41-33(35(39)44)20-25-9-3-1-4-10-25/h1-18,30,32-34,40,43H,19-24,38H2,(H2,39,44)(H,41,45)/t30?,32-,33-,34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Binding affinity for Opioid receptor delta 1 determined by displacing [3H]-DSLET from rat brain membrane binding sites				J Med Chem 42: 3520-6 (1999) Article DOI: 10.1021/jm980724+ BindingDB Entry DOI: 10.7270/Q2SJ1JT1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50080452 ((S)-2-({2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propio...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2CC1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C37H41N5O4/c38-32(19-27-15-17-31(43)18-16-27)37(46)42-24-29-14-8-7-13-28(29)22-30(42)23-40-34(21-26-11-5-2-6-12-26)36(45)41-33(35(39)44)20-25-9-3-1-4-10-25/h1-18,30,32-34,40,43H,19-24,38H2,(H2,39,44)(H,41,45)/t30?,32-,33-,34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description . Binding affinity for Opioid receptor mu 1 determined by displacing [3H]-DAMGO from rat brain membrane binding sites				J Med Chem 42: 3520-6 (1999) Article DOI: 10.1021/jm980724+ BindingDB Entry DOI: 10.7270/Q2SJ1JT1
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50080452 ((S)-2-({2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propio...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2CC1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C37H41N5O4/c38-32(19-27-15-17-31(43)18-16-27)37(46)42-24-29-14-8-7-13-28(29)22-30(42)23-40-34(21-26-11-5-2-6-12-26)36(45)41-33(35(39)44)20-25-9-3-1-4-10-25/h1-18,30,32-34,40,43H,19-24,38H2,(H2,39,44)(H,41,45)/t30?,32-,33-,34-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Binding affinity for Opioid receptor kappa 1 determined by displacement of [3H]U69,593 from guinea pig brain membranes				J Med Chem 42: 3520-6 (1999) Article DOI: 10.1021/jm980724+ BindingDB Entry DOI: 10.7270/Q2SJ1JT1
					More data for this Ligand-Target Pair