BDBM50068655 2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-butyryl]-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid [1-(1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-phenyl-ethyl]-amide::CHEMBL365581

SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=HLGLOFWWPYOSAE-ZWDYZTTJSA-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 = 50068655   

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))	BDBM50068655 (2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-butyryl]-1,2,3...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C37H39N5O5/c38-30(19-26-15-17-29(43)18-16-26)37(47)42-23-28-14-8-7-13-27(28)22-33(42)36(46)41-32(21-25-11-5-2-6-12-25)35(45)40-31(34(39)44)20-24-9-3-1-4-10-24/h1-18,30-33,43H,19-23,38H2,(H2,39,44)(H,40,45)(H,41,46)/t30-,31-,32-,33+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	167	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Szeged Curated by ChEMBL					Assay Description Inhibition of DAMGO (Tyr-[D-Ala]-Gly-[NMe-Phe]-Gly-ol) binding to rat brain mu opioid receptor				J Med Chem 48: 3239-50 (2005) Article DOI: 10.1021/jm049157i BindingDB Entry DOI: 10.7270/Q28P601Q
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50068655 (2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-butyryl]-1,2,3...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C37H39N5O5/c38-30(19-26-15-17-29(43)18-16-26)37(47)42-23-28-14-8-7-13-27(28)22-33(42)36(46)41-32(21-25-11-5-2-6-12-25)35(45)40-31(34(39)44)20-24-9-3-1-4-10-24/h1-18,30-33,43H,19-23,38H2,(H2,39,44)(H,40,45)(H,41,46)/t30-,31-,32-,33+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	519	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Binding affinity towards human Opioid receptor delta 1 on NxG108CC15 (human neuroglioblastoma) cell membranes by [3H]DPDPE displacement.				J Med Chem 41: 5167-76 (1999) Article DOI: 10.1021/jm981011u BindingDB Entry DOI: 10.7270/Q2XK8G7T
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50068655 (2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-butyryl]-1,2,3...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C37H39N5O5/c38-30(19-26-15-17-29(43)18-16-26)37(47)42-23-28-14-8-7-13-27(28)22-33(42)36(46)41-32(21-25-11-5-2-6-12-25)35(45)40-31(34(39)44)20-24-9-3-1-4-10-24/h1-18,30-33,43H,19-23,38H2,(H2,39,44)(H,40,45)(H,41,46)/t30-,31-,32-,33+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Binding affinity towards Opioid receptor mu 1 on rat forebrain membranes by [3H]sufentanil displacement.				J Med Chem 41: 5167-76 (1999) Article DOI: 10.1021/jm981011u BindingDB Entry DOI: 10.7270/Q2XK8G7T
					More data for this Ligand-Target Pair