BDBM50395058 CHEMBL2163918

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)c1cccc2ccccc12

InChI Key: InChIKey=SLZHOAGZSUACQP-HPSGNIKNSA-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 = 50395058   

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))	BDBM50395058 (CHEMBL2163918) 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)c1cccc2ccccc12 |r| Show InChI InChI=1S/C39H40N6O5/c1-23(36(41)47)35(30-12-6-9-25-8-2-3-10-28(25)30)44-37(48)33(21-26-22-42-32-13-5-4-11-29(26)32)43-38(49)34-14-7-19-45(34)39(50)31(40)20-24-15-17-27(46)18-16-24/h2-6,8-13,15-18,22,31,33-35,42,46H,1,7,14,19-21,40H2,(H2,41,47)(H,43,49)(H,44,48)/t31-,33-,34-,35+/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	26	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))	BDBM50395058 (CHEMBL2163918) 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)c1cccc2ccccc12 |r| Show InChI InChI=1S/C39H40N6O5/c1-23(36(41)47)35(30-12-6-9-25-8-2-3-10-28(25)30)44-37(48)33(21-26-22-42-32-13-5-4-11-29(26)32)43-38(49)34-14-7-19-45(34)39(50)31(40)20-24-15-17-27(46)18-16-24/h2-6,8-13,15-18,22,31,33-35,42,46H,1,7,14,19-21,40H2,(H2,41,47)(H,43,49)(H,44,48)/t31-,33-,34-,35+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.47E+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)	BDBM50395058 (CHEMBL2163918) 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)c1cccc2ccccc12 |r| Show InChI InChI=1S/C39H40N6O5/c1-23(36(41)47)35(30-12-6-9-25-8-2-3-10-28(25)30)44-37(48)33(21-26-22-42-32-13-5-4-11-29(26)32)43-38(49)34-14-7-19-45(34)39(50)31(40)20-24-15-17-27(46)18-16-24/h2-6,8-13,15-18,22,31,33-35,42,46H,1,7,14,19-21,40H2,(H2,41,47)(H,43,49)(H,44,48)/t31-,33-,34-,35+/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	84	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)	BDBM50395058 (CHEMBL2163918) 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)c1cccc2ccccc12 |r| Show InChI InChI=1S/C39H40N6O5/c1-23(36(41)47)35(30-12-6-9-25-8-2-3-10-28(25)30)44-37(48)33(21-26-22-42-32-13-5-4-11-29(26)32)43-38(49)34-14-7-19-45(34)39(50)31(40)20-24-15-17-27(46)18-16-24/h2-6,8-13,15-18,22,31,33-35,42,46H,1,7,14,19-21,40H2,(H2,41,47)(H,43,49)(H,44,48)/t31-,33-,34-,35+/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	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))	BDBM50395058 (CHEMBL2163918) 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)c1cccc2ccccc12 |r| Show InChI InChI=1S/C39H40N6O5/c1-23(36(41)47)35(30-12-6-9-25-8-2-3-10-28(25)30)44-37(48)33(21-26-22-42-32-13-5-4-11-29(26)32)43-38(49)34-14-7-19-45(34)39(50)31(40)20-24-15-17-27(46)18-16-24/h2-6,8-13,15-18,22,31,33-35,42,46H,1,7,14,19-21,40H2,(H2,41,47)(H,43,49)(H,44,48)/t31-,33-,34-,35+/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	72	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