BDBM50326883 (S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-(((S)-1-((S)-2-amino-3-(4-hydroxyphenyl)propanoyl)pyrrolidin-2-yl)methylsulfonamido)-3-phenylpropanamide::CHEMBL1253634

SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1CS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=FSPHKCSMYIGZLU-AMEOFWRWSA-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 = 50326883   

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))	BDBM50326883 ((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-((...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1CS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C32H39N5O6S/c33-27(18-24-13-15-26(38)16-14-24)32(41)37-17-7-12-25(37)21-44(42,43)36-29(20-23-10-5-2-6-11-23)31(40)35-28(30(34)39)19-22-8-3-1-4-9-22/h1-6,8-11,13-16,25,27-29,36,38H,7,12,17-21,33H2,(H2,34,39)(H,35,40)/t25-,27-,28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
"Sapienza" Università di Roma Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting				Eur J Med Chem 45: 4594-600 (2010) Article DOI: 10.1016/j.ejmech.2010.07.022 BindingDB Entry DOI: 10.7270/Q2KK9C0Q
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50326883 ((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-((...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1CS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C32H39N5O6S/c33-27(18-24-13-15-26(38)16-14-24)32(41)37-17-7-12-25(37)21-44(42,43)36-29(20-23-10-5-2-6-11-23)31(40)35-28(30(34)39)19-22-8-3-1-4-9-22/h1-6,8-11,13-16,25,27-29,36,38H,7,12,17-21,33H2,(H2,34,39)(H,35,40)/t25-,27-,28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
"Sapienza" Università di Roma Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from kappa opioid receptor in rat brain membrane after 3 hrs by liquid scintillation counting				Eur J Med Chem 45: 4594-600 (2010) Article DOI: 10.1016/j.ejmech.2010.07.022 BindingDB Entry DOI: 10.7270/Q2KK9C0Q
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50326883 ((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-((...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1CS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C32H39N5O6S/c33-27(18-24-13-15-26(38)16-14-24)32(41)37-17-7-12-25(37)21-44(42,43)36-29(20-23-10-5-2-6-11-23)31(40)35-28(30(34)39)19-22-8-3-1-4-9-22/h1-6,8-11,13-16,25,27-29,36,38H,7,12,17-21,33H2,(H2,34,39)(H,35,40)/t25-,27-,28-,29-/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	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
"Sapienza" Università di Roma Curated by ChEMBL					Assay Description Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction				Eur J Med Chem 45: 4594-600 (2010) Article DOI: 10.1016/j.ejmech.2010.07.022 BindingDB Entry DOI: 10.7270/Q2KK9C0Q
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50326883 ((S)-N-((S)-1-amino-1-oxo-3-phenylpropan-2-yl)-2-((...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1CS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C32H39N5O6S/c33-27(18-24-13-15-26(38)16-14-24)32(41)37-17-7-12-25(37)21-44(42,43)36-29(20-23-10-5-2-6-11-23)31(40)35-28(30(34)39)19-22-8-3-1-4-9-22/h1-6,8-11,13-16,25,27-29,36,38H,7,12,17-21,33H2,(H2,34,39)(H,35,40)/t25-,27-,28-,29-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
"Sapienza" Università di Roma Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction				Eur J Med Chem 45: 4594-600 (2010) Article DOI: 10.1016/j.ejmech.2010.07.022 BindingDB Entry DOI: 10.7270/Q2KK9C0Q
					More data for this Ligand-Target Pair