BDBM50395068 CHEMBL2163921

SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccccc1

InChI Key: InChIKey=GOKRYXUMRXWEKJ-MUFAAYGBSA-N

Data: 2 KI  2 IC50  1 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 5 hits for monomerid = 50395068   

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 (Homo sapiens (Human))	BDBM50395068 (CHEMBL2163921) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C35H38N6O5/c1-21(32(37)43)31(23-8-3-2-4-9-23)40-33(44)29(19-24-20-38-28-11-6-5-10-26(24)28)39-34(45)30-12-7-17-41(30)35(46)27(36)18-22-13-15-25(42)16-14-22/h2-6,8-11,13-16,20,27,29-31,38,42H,1,7,12,17-19,36H2,(H2,37,43)(H,39,45)(H,40,44)/t27-,29-,30-,31+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.535	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from FLAG-tagged mu opioid receptor expressed in HEK293 cells after 60 mins by liquid scintillation counter				J Med Chem 55: 6224-36 (2012) Article DOI: 10.1021/jm300664y BindingDB Entry DOI: 10.7270/Q2T154S8
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50395068 (CHEMBL2163921) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C35H38N6O5/c1-21(32(37)43)31(23-8-3-2-4-9-23)40-33(44)29(19-24-20-38-28-11-6-5-10-26(24)28)39-34(45)30-12-7-17-41(30)35(46)27(36)18-22-13-15-25(42)16-14-22/h2-6,8-11,13-16,20,27,29-31,38,42H,1,7,12,17-19,36H2,(H2,37,43)(H,39,45)(H,40,44)/t27-,29-,30-,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from Myc-tagged delta opioid receptor expressed in HEK293 cells after 60 mins by liquid scintillation counter				J Med Chem 55: 6224-36 (2012) Article DOI: 10.1021/jm300664y BindingDB Entry DOI: 10.7270/Q2T154S8
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50395068 (CHEMBL2163921) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C35H38N6O5/c1-21(32(37)43)31(23-8-3-2-4-9-23)40-33(44)29(19-24-20-38-28-11-6-5-10-26(24)28)39-34(45)30-12-7-17-41(30)35(46)27(36)18-22-13-15-25(42)16-14-22/h2-6,8-11,13-16,20,27,29-31,38,42H,1,7,12,17-19,36H2,(H2,37,43)(H,39,45)(H,40,44)/t27-,29-,30-,31+/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	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Agonist activity at delta opioid receptor in Kunming mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction				J Med Chem 55: 6224-36 (2012) Article DOI: 10.1021/jm300664y BindingDB Entry DOI: 10.7270/Q2T154S8
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50395068 (CHEMBL2163921) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C35H38N6O5/c1-21(32(37)43)31(23-8-3-2-4-9-23)40-33(44)29(19-24-20-38-28-11-6-5-10-26(24)28)39-34(45)30-12-7-17-41(30)35(46)27(36)18-22-13-15-25(42)16-14-22/h2-6,8-11,13-16,20,27,29-31,38,42H,1,7,12,17-19,36H2,(H2,37,43)(H,39,45)(H,40,44)/t27-,29-,30-,31+/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Lanzhou University 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 55: 6224-36 (2012) Article DOI: 10.1021/jm300664y BindingDB Entry DOI: 10.7270/Q2T154S8
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50395068 (CHEMBL2163921) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C35H38N6O5/c1-21(32(37)43)31(23-8-3-2-4-9-23)40-33(44)29(19-24-20-38-28-11-6-5-10-26(24)28)39-34(45)30-12-7-17-41(30)35(46)27(36)18-22-13-15-25(42)16-14-22/h2-6,8-11,13-16,20,27,29-31,38,42H,1,7,12,17-19,36H2,(H2,37,43)(H,39,45)(H,40,44)/t27-,29-,30-,31+/m0/s1	PDB NCI pathway 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	0.160	n/a	n/a	n/a	n/a
Lanzhou University Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins by liqui...				J Med Chem 55: 6224-36 (2012) Article DOI: 10.1021/jm300664y BindingDB Entry DOI: 10.7270/Q2T154S8
					More data for this Ligand-Target Pair