BDBM50080455 (S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-2-({2-[(S)-3-(4-hydroxy-2,6-dimethyl-phenyl)-2-methylamino-propionyl]-1,2,3,4-tetrahydro-isoquinolin-3-ylmethyl}-amino)-3-phenyl-propionamide::CHEMBL119535

SMILES: CN[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=IWXDXQSRKMEUGG-AGDWLBJDSA-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 = 50080455   

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))	BDBM50080455 ((S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-2-({2-[(S)-...) Show SMILES CN[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C40H47N5O4/c1-26-18-33(46)19-27(2)34(26)23-37(42-3)40(49)45-25-31-17-11-10-16-30(31)22-32(45)24-43-36(21-29-14-8-5-9-15-29)39(48)44-35(38(41)47)20-28-12-6-4-7-13-28/h4-19,32,35-37,42-43,46H,20-25H2,1-3H3,(H2,41,47)(H,44,48)/t32?,35-,36-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	61	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))	BDBM50080455 ((S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-2-({2-[(S)-...) Show SMILES CN[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C40H47N5O4/c1-26-18-33(46)19-27(2)34(26)23-37(42-3)40(49)45-25-31-17-11-10-16-30(31)22-32(45)24-43-36(21-29-14-8-5-9-15-29)39(48)44-35(38(41)47)20-28-12-6-4-7-13-28/h4-19,32,35-37,42-43,46H,20-25H2,1-3H3,(H2,41,47)(H,44,48)/t32?,35-,36-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	76	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))	BDBM50080455 ((S)-N-((S)-1-Carbamoyl-2-phenyl-ethyl)-2-({2-[(S)-...) Show SMILES CN[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2CC1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C40H47N5O4/c1-26-18-33(46)19-27(2)34(26)23-37(42-3)40(49)45-25-31-17-11-10-16-30(31)22-32(45)24-43-36(21-29-14-8-5-9-15-29)39(48)44-35(38(41)47)20-28-12-6-4-7-13-28/h4-19,32,35-37,42-43,46H,20-25H2,1-3H3,(H2,41,47)(H,44,48)/t32?,35-,36-,37-/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