BDBM50252420 (1R,2R)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-1-oxo-3-phenylpropan-2-yl)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)cyclohexanecarboxamide::CHEMBL447871

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

InChI Key: InChIKey=ZWSMYALLYGLVNZ-MYOTWTRRSA-N

Data: 3 KI  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 4 hits for monomerid = 50252420   

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))	BDBM50252420 ((1R,2R)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C34H41N5O5/c35-27(19-24-15-17-25(40)18-16-24)33(43)37-28-14-8-7-13-26(28)32(42)39-30(21-23-11-5-2-6-12-23)34(44)38-29(31(36)41)20-22-9-3-1-4-10-22/h1-6,9-12,15-18,26-30,40H,7-8,13-14,19-21,35H2,(H2,36,41)(H,37,43)(H,38,44)(H,39,42)/t26-,27+,28-,29+,30+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain				J Med Chem 51: 4270-9 (2008) Article DOI: 10.1021/jm800223t BindingDB Entry DOI: 10.7270/Q2QC038R
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50252420 ((1R,2R)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C34H41N5O5/c35-27(19-24-15-17-25(40)18-16-24)33(43)37-28-14-8-7-13-26(28)32(42)39-30(21-23-11-5-2-6-12-23)34(44)38-29(31(36)41)20-22-9-3-1-4-10-22/h1-6,9-12,15-18,26-30,40H,7-8,13-14,19-21,35H2,(H2,36,41)(H,37,43)(H,38,44)(H,39,42)/t26-,27+,28-,29+,30+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]endomorphin-2 from mu opioid receptor in Wistar rat brain				J Med Chem 51: 4270-9 (2008) Article DOI: 10.1021/jm800223t BindingDB Entry DOI: 10.7270/Q2QC038R
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50252420 ((1R,2R)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C34H41N5O5/c35-27(19-24-15-17-25(40)18-16-24)33(43)37-28-14-8-7-13-26(28)32(42)39-30(21-23-11-5-2-6-12-23)34(44)38-29(31(36)41)20-22-9-3-1-4-10-22/h1-6,9-12,15-18,26-30,40H,7-8,13-14,19-21,35H2,(H2,36,41)(H,37,43)(H,38,44)(H,39,42)/t26-,27+,28-,29+,30+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	439	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Displacement of [3H]Ile5,6deltorphin-2 from delta opioid receptor in Wistar rat brain				J Med Chem 51: 4270-9 (2008) Article DOI: 10.1021/jm800223t BindingDB Entry DOI: 10.7270/Q2QC038R
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50252420 ((1R,2R)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C34H41N5O5/c35-27(19-24-15-17-25(40)18-16-24)33(43)37-28-14-8-7-13-26(28)32(42)39-30(21-23-11-5-2-6-12-23)34(44)38-29(31(36)41)20-22-9-3-1-4-10-22/h1-6,9-12,15-18,26-30,40H,7-8,13-14,19-21,35H2,(H2,36,41)(H,37,43)(H,38,44)(H,39,42)/t26-,27+,28-,29+,30+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.83E+3	n/a	n/a	n/a	n/a
Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Activity at mu opioid receptor in Wistar rat brain assessed as stimulation of [35S]GTPgammaS binding				J Med Chem 51: 4270-9 (2008) Article DOI: 10.1021/jm800223t BindingDB Entry DOI: 10.7270/Q2QC038R
					More data for this Ligand-Target Pair