BDBM50334991 (R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanamido)-N-(2-oxo-2-((S)-1-oxo-3-phenyl-1-(4-(N-phenylpropionamido)piperidin-1-yl)propan-2-ylamino)ethyl)hexanamide::CHEMBL1649938

SMILES: CCCC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)N(C(=O)CC)c1ccccc1

InChI Key: InChIKey=QVBNXGNXRIPRPX-QOEXFKEZSA-N

Data: 2 KI  2 IC50  3 EC50

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 7 hits for monomerid = 50334991   

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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50334991 ((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...) Show SMILES CCCC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)N(C(=O)CC)c1ccccc1 |r| Show InChI InChI=1S/C42H56N6O6/c1-5-7-18-36(46-40(52)35(43)26-34-28(3)23-33(49)24-29(34)4)41(53)44-27-38(50)45-37(25-30-14-10-8-11-15-30)42(54)47-21-19-32(20-22-47)48(39(51)6-2)31-16-12-9-13-17-31/h8-17,23-24,32,35-37,49H,5-7,18-22,25-27,43H2,1-4H3,(H,44,53)(H,45,50)(H,46,52)/t35-,36+,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cells				J Med Chem 54: 382-6 (2011) Article DOI: 10.1021/jm100982d BindingDB Entry DOI: 10.7270/Q2N29XWF
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50334991 ((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...) Show SMILES CCCC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)N(C(=O)CC)c1ccccc1 |r| Show InChI InChI=1S/C42H56N6O6/c1-5-7-18-36(46-40(52)35(43)26-34-28(3)23-33(49)24-29(34)4)41(53)44-27-38(50)45-37(25-30-14-10-8-11-15-30)42(54)47-21-19-32(20-22-47)48(39(51)6-2)31-16-12-9-13-17-31/h8-17,23-24,32,35-37,49H,5-7,18-22,25-27,43H2,1-4H3,(H,44,53)(H,45,50)(H,46,52)/t35-,36+,37-/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
University of Arizona Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cells				J Med Chem 54: 382-6 (2011) Article DOI: 10.1021/jm100982d BindingDB Entry DOI: 10.7270/Q2N29XWF
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50334991 ((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...) Show SMILES CCCC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)N(C(=O)CC)c1ccccc1 |r| Show InChI InChI=1S/C42H56N6O6/c1-5-7-18-36(46-40(52)35(43)26-34-28(3)23-33(49)24-29(34)4)41(53)44-27-38(50)45-37(25-30-14-10-8-11-15-30)42(54)47-21-19-32(20-22-47)48(39(51)6-2)31-16-12-9-13-17-31/h8-17,23-24,32,35-37,49H,5-7,18-22,25-27,43H2,1-4H3,(H,44,53)(H,45,50)(H,46,52)/t35-,36+,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.110	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Agonist activity at rat mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding				J Med Chem 54: 382-6 (2011) Article DOI: 10.1021/jm100982d BindingDB Entry DOI: 10.7270/Q2N29XWF
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50334991 ((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...) Show SMILES CCCC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)N(C(=O)CC)c1ccccc1 |r| Show InChI InChI=1S/C42H56N6O6/c1-5-7-18-36(46-40(52)35(43)26-34-28(3)23-33(49)24-29(34)4)41(53)44-27-38(50)45-37(25-30-14-10-8-11-15-30)42(54)47-21-19-32(20-22-47)48(39(51)6-2)31-16-12-9-13-17-31/h8-17,23-24,32,35-37,49H,5-7,18-22,25-27,43H2,1-4H3,(H,44,53)(H,45,50)(H,46,52)/t35-,36+,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.110	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Agonist activity at rat mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding				J Med Chem 54: 382-6 (2011) Article DOI: 10.1021/jm100982d BindingDB Entry DOI: 10.7270/Q2N29XWF
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50334991 ((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...) Show SMILES CCCC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)N(C(=O)CC)c1ccccc1 |r| Show InChI InChI=1S/C42H56N6O6/c1-5-7-18-36(46-40(52)35(43)26-34-28(3)23-33(49)24-29(34)4)41(53)44-27-38(50)45-37(25-30-14-10-8-11-15-30)42(54)47-21-19-32(20-22-47)48(39(51)6-2)31-16-12-9-13-17-31/h8-17,23-24,32,35-37,49H,5-7,18-22,25-27,43H2,1-4H3,(H,44,53)(H,45,50)(H,46,52)/t35-,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	0.690	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction				J Med Chem 54: 382-6 (2011) Article DOI: 10.1021/jm100982d BindingDB Entry DOI: 10.7270/Q2N29XWF
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50334991 ((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...) Show SMILES CCCC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)N(C(=O)CC)c1ccccc1 |r| Show InChI InChI=1S/C42H56N6O6/c1-5-7-18-36(46-40(52)35(43)26-34-28(3)23-33(49)24-29(34)4)41(53)44-27-38(50)45-37(25-30-14-10-8-11-15-30)42(54)47-21-19-32(20-22-47)48(39(51)6-2)31-16-12-9-13-17-31/h8-17,23-24,32,35-37,49H,5-7,18-22,25-27,43H2,1-4H3,(H,44,53)(H,45,50)(H,46,52)/t35-,36+,37-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction				J Med Chem 54: 382-6 (2011) Article DOI: 10.1021/jm100982d BindingDB Entry DOI: 10.7270/Q2N29XWF
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50334991 ((R)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl...) Show SMILES CCCC[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)N(C(=O)CC)c1ccccc1 |r| Show InChI InChI=1S/C42H56N6O6/c1-5-7-18-36(46-40(52)35(43)26-34-28(3)23-33(49)24-29(34)4)41(53)44-27-38(50)45-37(25-30-14-10-8-11-15-30)42(54)47-21-19-32(20-22-47)48(39(51)6-2)31-16-12-9-13-17-31/h8-17,23-24,32,35-37,49H,5-7,18-22,25-27,43H2,1-4H3,(H,44,53)(H,45,50)(H,46,52)/t35-,36+,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.100	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding				J Med Chem 54: 382-6 (2011) Article DOI: 10.1021/jm100982d BindingDB Entry DOI: 10.7270/Q2N29XWF
					More data for this Ligand-Target Pair