BDBM50397110 CHEMBL2171846

SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N2

InChI Key: InChIKey=GCAAWBGPPHFVPO-DMFUDNNJSA-N

Data: 3 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 5 hits for monomerid = 50397110   

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))	BDBM50397110 (CHEMBL2171846) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N2 |r| Show InChI InChI=1S/C32H35N5O5/c33-25(15-22-11-13-24(38)14-12-22)32(42)37-19-23-18-28(37)31(41)36-27(17-21-9-5-2-6-10-21)30(40)35-26(29(39)34-23)16-20-7-3-1-4-8-20/h1-14,23,25-28,38H,15-19,33H2,(H,34,39)(H,35,40)(H,36,41)/t23?,25-,26+,27+,28-/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	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara G. d'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor transfected in human HN9.10 cells after 3 hrs by liquid scintillation counter				J Med Chem 55: 8477-82 (2012) Article DOI: 10.1021/jm300947s BindingDB Entry DOI: 10.7270/Q2NP25JD
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50397110 (CHEMBL2171846) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N2 |r| Show InChI InChI=1S/C32H35N5O5/c33-25(15-22-11-13-24(38)14-12-22)32(42)37-19-23-18-28(37)31(41)36-27(17-21-9-5-2-6-10-21)30(40)35-26(29(39)34-23)16-20-7-3-1-4-8-20/h1-14,23,25-28,38H,15-19,33H2,(H,34,39)(H,35,40)(H,36,41)/t23?,25-,26+,27+,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara G. d'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor transfected in human HN9.10 cells after 3 hrs by liquid scintillation counter				J Med Chem 55: 8477-82 (2012) Article DOI: 10.1021/jm300947s BindingDB Entry DOI: 10.7270/Q2NP25JD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50397110 (CHEMBL2171846) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N2 |r| Show InChI InChI=1S/C32H35N5O5/c33-25(15-22-11-13-24(38)14-12-22)32(42)37-19-23-18-28(37)31(41)36-27(17-21-9-5-2-6-10-21)30(40)35-26(29(39)34-23)16-20-7-3-1-4-8-20/h1-14,23,25-28,38H,15-19,33H2,(H,34,39)(H,35,40)(H,36,41)/t23?,25-,26+,27+,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
Universit£ di Chieti-Pescara G. d'Annunzio Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by liquid scintillation counter				J Med Chem 55: 8477-82 (2012) Article DOI: 10.1021/jm300947s BindingDB Entry DOI: 10.7270/Q2NP25JD
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50397110 (CHEMBL2171846) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N2 |r| Show InChI InChI=1S/C32H35N5O5/c33-25(15-22-11-13-24(38)14-12-22)32(42)37-19-23-18-28(37)31(41)36-27(17-21-9-5-2-6-10-21)30(40)35-26(29(39)34-23)16-20-7-3-1-4-8-20/h1-14,23,25-28,38H,15-19,33H2,(H,34,39)(H,35,40)(H,36,41)/t23?,25-,26+,27+,28-/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	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara G. d'Annunzio Curated by ChEMBL					Assay Description Agonist activity at delta opioid receptor in ICR mouse vas deferens assessed as inhibition of electrically-induced smooth muscle contraction after 3 ...				J Med Chem 55: 8477-82 (2012) Article DOI: 10.1021/jm300947s BindingDB Entry DOI: 10.7270/Q2NP25JD
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50397110 (CHEMBL2171846) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N2 |r| Show InChI InChI=1S/C32H35N5O5/c33-25(15-22-11-13-24(38)14-12-22)32(42)37-19-23-18-28(37)31(41)36-27(17-21-9-5-2-6-10-21)30(40)35-26(29(39)34-23)16-20-7-3-1-4-8-20/h1-14,23,25-28,38H,15-19,33H2,(H,34,39)(H,35,40)(H,36,41)/t23?,25-,26+,27+,28-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Chieti-Pescara G. d'Annunzio Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor in Hartley guinea pig ileum longitudinal muscle myenteric plexus assessed as inhibition of electrically-induce...				J Med Chem 55: 8477-82 (2012) Article DOI: 10.1021/jm300947s BindingDB Entry DOI: 10.7270/Q2NP25JD
					More data for this Ligand-Target Pair