BDBM50159680 (S)-1-[2-Amino-3-(4-hydroxy-2,3,6-trimethyl-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid [(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-phenyl-ethyl]-amide::CHEMBL179246

SMILES: Cc1cc(O)c(C)c(C)c1CC(N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=BDMYIPNSEIOOMG-UOOFWSDHSA-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 = 50159680   

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))	BDBM50159680 ((S)-1-[2-Amino-3-(4-hydroxy-2,3,6-trimethyl-phenyl...) Show SMILES Cc1cc(O)c(C)c(C)c1CC(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/C35H43N5O5/c1-21-17-31(41)23(3)22(2)26(21)20-27(36)35(45)40-16-10-15-30(40)34(44)39-29(19-25-13-8-5-9-14-25)33(43)38-28(32(37)42)18-24-11-6-4-7-12-24/h4-9,11-14,17,27-30,41H,10,15-16,18-20,36H2,1-3H3,(H2,37,42)(H,38,43)(H,39,44)/t27?,28-,29-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.111	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))	BDBM50159680 ((S)-1-[2-Amino-3-(4-hydroxy-2,3,6-trimethyl-phenyl...) Show SMILES Cc1cc(O)c(C)c(C)c1CC(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/C35H43N5O5/c1-21-17-31(41)23(3)22(2)26(21)20-27(36)35(45)40-16-10-15-30(40)34(44)39-29(19-25-13-8-5-9-14-25)33(43)38-28(32(37)42)18-24-11-6-4-7-12-24/h4-9,11-14,17,27-30,41H,10,15-16,18-20,36H2,1-3H3,(H2,37,42)(H,38,43)(H,39,44)/t27?,28-,29-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	594	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)	BDBM50159680 ((S)-1-[2-Amino-3-(4-hydroxy-2,3,6-trimethyl-phenyl...) Show SMILES Cc1cc(O)c(C)c(C)c1CC(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/C35H43N5O5/c1-21-17-31(41)23(3)22(2)26(21)20-27(36)35(45)40-16-10-15-30(40)34(44)39-29(19-25-13-8-5-9-14-25)33(43)38-28(32(37)42)18-24-11-6-4-7-12-24/h4-9,11-14,17,27-30,41H,10,15-16,18-20,36H2,1-3H3,(H2,37,42)(H,38,43)(H,39,44)/t27?,28-,29-,30-/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	46.4	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)	BDBM50159680 ((S)-1-[2-Amino-3-(4-hydroxy-2,3,6-trimethyl-phenyl...) Show SMILES Cc1cc(O)c(C)c(C)c1CC(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/C35H43N5O5/c1-21-17-31(41)23(3)22(2)26(21)20-27(36)35(45)40-16-10-15-30(40)34(44)39-29(19-25-13-8-5-9-14-25)33(43)38-28(32(37)42)18-24-11-6-4-7-12-24/h4-9,11-14,17,27-30,41H,10,15-16,18-20,36H2,1-3H3,(H2,37,42)(H,38,43)(H,39,44)/t27?,28-,29-,30-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.31	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