BDBM50297290 (S)-1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamido)-6-(benzyloxycarbonylamino)hexanoate::CHEMBL559088

SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2[nH]1

InChI Key: InChIKey=RCRODOVSLLRLGH-WOFUPGFCSA-N

Data: 2 KI  2 IC50

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 4 hits for monomerid = 50297290   

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))	BDBM50297290 ((S)-1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-2-amino...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C42H46N6O6/c1-26-20-31(49)21-27(2)32(26)23-33(43)41(52)48-24-30-15-7-6-14-29(30)22-37(48)40(51)47-36(38(50)39-45-34-16-8-9-17-35(34)46-39)18-10-11-19-44-42(53)54-25-28-12-4-3-5-13-28/h3-9,12-17,20-21,33,36-37,49H,10-11,18-19,22-25,43H2,1-2H3,(H,44,53)(H,45,46)(H,47,51)/t33-,36-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane				J Med Chem 52: 5556-9 (2009) Article DOI: 10.1021/jm900686q BindingDB Entry DOI: 10.7270/Q23X86PB
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50297290 ((S)-1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-2-amino...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C42H46N6O6/c1-26-20-31(49)21-27(2)32(26)23-33(43)41(52)48-24-30-15-7-6-14-29(30)22-37(48)40(51)47-36(38(50)39-45-34-16-8-9-17-35(34)46-39)18-10-11-19-44-42(53)54-25-28-12-4-3-5-13-28/h3-9,12-17,20-21,33,36-37,49H,10-11,18-19,22-25,43H2,1-2H3,(H,44,53)(H,45,46)(H,47,51)/t33-,36-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane				J Med Chem 52: 5556-9 (2009) Article DOI: 10.1021/jm900686q BindingDB Entry DOI: 10.7270/Q23X86PB
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50297290 ((S)-1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-2-amino...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C42H46N6O6/c1-26-20-31(49)21-27(2)32(26)23-33(43)41(52)48-24-30-15-7-6-14-29(30)22-37(48)40(51)47-36(38(50)39-45-34-16-8-9-17-35(34)46-39)18-10-11-19-44-42(53)54-25-28-12-4-3-5-13-28/h3-9,12-17,20-21,33,36-37,49H,10-11,18-19,22-25,43H2,1-2H3,(H,44,53)(H,45,46)(H,47,51)/t33-,36-,37-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	375	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor in Hartley guinea pig longitudinal muscle myenteric plexus assessed as inhibition of electrically evoked contr...				J Med Chem 52: 5556-9 (2009) Article DOI: 10.1021/jm900686q BindingDB Entry DOI: 10.7270/Q23X86PB
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50297290 ((S)-1H-benzo[d]imidazol-2-yl 2-((S)-2-((S)-2-amino...) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2[nH]1 |r| Show InChI InChI=1S/C42H46N6O6/c1-26-20-31(49)21-27(2)32(26)23-33(43)41(52)48-24-30-15-7-6-14-29(30)22-37(48)40(51)47-36(38(50)39-45-34-16-8-9-17-35(34)46-39)18-10-11-19-44-42(53)54-25-28-12-4-3-5-13-28/h3-9,12-17,20-21,33,36-37,49H,10-11,18-19,22-25,43H2,1-2H3,(H,44,53)(H,45,46)(H,47,51)/t33-,36-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically evoked contraction				J Med Chem 52: 5556-9 (2009) Article DOI: 10.1021/jm900686q BindingDB Entry DOI: 10.7270/Q23X86PB
					More data for this Ligand-Target Pair