BDBM50080454 2-[(S)-3-(4-Hydroxy-2,6-dimethyl-phenyl)-2-methylamino-propionyl]-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid [(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-phenyl-ethyl]-amide::CHEMBL2370502

SMILES: CN[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=OEJIVAWEKRZHJP-ZYADHFCISA-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 = 50080454   

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))	BDBM50080454 (2-[(S)-3-(4-Hydroxy-2,6-dimethyl-phenyl)-2-methyla...) Show SMILES CN[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C40H45N5O5/c1-25-18-31(46)19-26(2)32(25)23-35(42-3)40(50)45-24-30-17-11-10-16-29(30)22-36(45)39(49)44-34(21-28-14-8-5-9-15-28)38(48)43-33(37(41)47)20-27-12-6-4-7-13-27/h4-19,33-36,42,46H,20-24H2,1-3H3,(H2,41,47)(H,43,48)(H,44,49)/t33-,34-,35-,36-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.390	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))	BDBM50080454 (2-[(S)-3-(4-Hydroxy-2,6-dimethyl-phenyl)-2-methyla...) Show SMILES CN[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C40H45N5O5/c1-25-18-31(46)19-26(2)32(25)23-35(42-3)40(50)45-24-30-17-11-10-16-29(30)22-36(45)39(49)44-34(21-28-14-8-5-9-15-28)38(48)43-33(37(41)47)20-27-12-6-4-7-13-27/h4-19,33-36,42,46H,20-24H2,1-3H3,(H2,41,47)(H,43,48)(H,44,49)/t33-,34-,35-,36-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10	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))	BDBM50080454 (2-[(S)-3-(4-Hydroxy-2,6-dimethyl-phenyl)-2-methyla...) Show SMILES CN[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C40H45N5O5/c1-25-18-31(46)19-26(2)32(25)23-35(42-3)40(50)45-24-30-17-11-10-16-29(30)22-36(45)39(49)44-34(21-28-14-8-5-9-15-28)38(48)43-33(37(41)47)20-27-12-6-4-7-13-27/h4-19,33-36,42,46H,20-24H2,1-3H3,(H2,41,47)(H,43,48)(H,44,49)/t33-,34-,35-,36-/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