BDBM50159682 (S)-1-[2-Amino-3-(4-hydroxy-2-methyl-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid [(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-phenyl-ethyl]-amide::CHEMBL367068

SMILES: Cc1cc(O)ccc1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=ZPYMRXNXCMOBIW-LJTAYKMUSA-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 = 50159682   

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))	BDBM50159682 ((S)-1-[2-Amino-3-(4-hydroxy-2-methyl-phenyl)-propi...) Show SMILES Cc1cc(O)ccc1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C33H39N5O5/c1-21-17-25(39)15-14-24(21)20-26(34)33(43)38-16-8-13-29(38)32(42)37-28(19-23-11-6-3-7-12-23)31(41)36-27(30(35)40)18-22-9-4-2-5-10-22/h2-7,9-12,14-15,17,26-29,39H,8,13,16,18-20,34H2,1H3,(H2,35,40)(H,36,41)(H,37,42)/t26?,27-,28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.132	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kobe Gakuin University Curated by ChEMBL					Assay Description Inhibition of [3H]-DAMGO binding to mu-Opioid receptor				J Med Chem 48: 586-92 (2005) Article DOI: 10.1021/jm049384k BindingDB Entry DOI: 10.7270/Q26T0M40
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50159682 ((S)-1-[2-Amino-3-(4-hydroxy-2-methyl-phenyl)-propi...) Show SMILES Cc1cc(O)ccc1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C33H39N5O5/c1-21-17-25(39)15-14-24(21)20-26(34)33(43)38-16-8-13-29(38)32(42)37-28(19-23-11-6-3-7-12-23)31(41)36-27(30(35)40)18-22-9-4-2-5-10-22/h2-7,9-12,14-15,17,26-29,39H,8,13,16,18-20,34H2,1H3,(H2,35,40)(H,36,41)(H,37,42)/t26?,27-,28-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	529	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kobe Gakuin University Curated by ChEMBL					Assay Description Inhibition of [3H]-DPDPE binding to delta-Opioid receptor				J Med Chem 48: 586-92 (2005) Article DOI: 10.1021/jm049384k BindingDB Entry DOI: 10.7270/Q26T0M40
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50159682 ((S)-1-[2-Amino-3-(4-hydroxy-2-methyl-phenyl)-propi...) Show SMILES Cc1cc(O)ccc1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C33H39N5O5/c1-21-17-25(39)15-14-24(21)20-26(34)33(43)38-16-8-13-29(38)32(42)37-28(19-23-11-6-3-7-12-23)31(41)36-27(30(35)40)18-22-9-4-2-5-10-22/h2-7,9-12,14-15,17,26-29,39H,8,13,16,18-20,34H2,1H3,(H2,35,40)(H,36,41)(H,37,42)/t26?,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	28.7	n/a	n/a	n/a	n/a	n/a	n/a
Kobe Gakuin University Curated by ChEMBL					Assay Description In vitro inhibition of opioid receptor delta using mouse vas deferens				J Med Chem 48: 586-92 (2005) Article DOI: 10.1021/jm049384k BindingDB Entry DOI: 10.7270/Q26T0M40
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50159682 ((S)-1-[2-Amino-3-(4-hydroxy-2-methyl-phenyl)-propi...) Show SMILES Cc1cc(O)ccc1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C33H39N5O5/c1-21-17-25(39)15-14-24(21)20-26(34)33(43)38-16-8-13-29(38)32(42)37-28(19-23-11-6-3-7-12-23)31(41)36-27(30(35)40)18-22-9-4-2-5-10-22/h2-7,9-12,14-15,17,26-29,39H,8,13,16,18-20,34H2,1H3,(H2,35,40)(H,36,41)(H,37,42)/t26?,27-,28-,29-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.924	n/a	n/a	n/a	n/a	n/a	n/a
Kobe Gakuin University Curated by ChEMBL					Assay Description In vitro inhibition of opioid receptor mu using isolated guinea pig ileum				J Med Chem 48: 586-92 (2005) Article DOI: 10.1021/jm049384k BindingDB Entry DOI: 10.7270/Q26T0M40
					More data for this Ligand-Target Pair