BDBM50339240 (1S,2R)-N-((S)-1-((2S,3S)-1-amino-1-oxo-3-phenylbutan-2-ylamino)-1-oxo-3-phenylpropan-2-yl)-2-(2-amino-3-(4-hydroxy-3,5-dimethylphenyl)propanamido)cyclohexanecarboxamide::CHEMBL1689548

SMILES: C[C@H]([C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCC[C@H]1NC(=O)C(N)Cc1cc(C)c(O)c(C)c1)C(N)=O)c1ccccc1

InChI Key: InChIKey=QAAOETKKVXBFDC-KJOJLLNVSA-N

Data: 2 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 3 hits for monomerid = 50339240   

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))	BDBM50339240 ((1S,2R)-N-((S)-1-((2S,3S)-1-amino-1-oxo-3-phenylbu...) Show SMILES C[C@H]([C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCC[C@H]1NC(=O)C(N)Cc1cc(C)c(O)c(C)c1)C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C37H47N5O5/c1-22-18-26(19-23(2)33(22)43)20-29(38)36(46)40-30-17-11-10-16-28(30)35(45)41-31(21-25-12-6-4-7-13-25)37(47)42-32(34(39)44)24(3)27-14-8-5-9-15-27/h4-9,12-15,18-19,24,28-32,43H,10-11,16-17,20-21,38H2,1-3H3,(H2,39,44)(H,40,46)(H,41,45)(H,42,47)/t24-,28-,29?,30+,31-,32-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.470	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 rat brain membrane homogenate by liquid scintillation counting				J Med Chem 54: 1462-72 (2011) Article DOI: 10.1021/jm101515v BindingDB Entry DOI: 10.7270/Q26T0MX9
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50339240 ((1S,2R)-N-((S)-1-((2S,3S)-1-amino-1-oxo-3-phenylbu...) Show SMILES C[C@H]([C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCC[C@H]1NC(=O)C(N)Cc1cc(C)c(O)c(C)c1)C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C37H47N5O5/c1-22-18-26(19-23(2)33(22)43)20-29(38)36(46)40-30-17-11-10-16-28(30)35(45)41-31(21-25-12-6-4-7-13-25)37(47)42-32(34(39)44)24(3)27-14-8-5-9-15-27/h4-9,12-15,18-19,24,28-32,43H,10-11,16-17,20-21,38H2,1-3H3,(H2,39,44)(H,40,46)(H,41,45)(H,42,47)/t24-,28-,29?,30+,31-,32-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	142	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][Ile5,6]deltorphin2 from delta opioid receptor in rat brain membrane homogenate by liquid scintillation counting				J Med Chem 54: 1462-72 (2011) Article DOI: 10.1021/jm101515v BindingDB Entry DOI: 10.7270/Q26T0MX9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50339240 ((1S,2R)-N-((S)-1-((2S,3S)-1-amino-1-oxo-3-phenylbu...) Show SMILES C[C@H]([C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCC[C@H]1NC(=O)C(N)Cc1cc(C)c(O)c(C)c1)C(N)=O)c1ccccc1 |r| Show InChI InChI=1S/C37H47N5O5/c1-22-18-26(19-23(2)33(22)43)20-29(38)36(46)40-30-17-11-10-16-28(30)35(45)41-31(21-25-12-6-4-7-13-25)37(47)42-32(34(39)44)24(3)27-14-8-5-9-15-27/h4-9,12-15,18-19,24,28-32,43H,10-11,16-17,20-21,38H2,1-3H3,(H2,39,44)(H,40,46)(H,41,45)(H,42,47)/t24-,28-,29?,30+,31-,32-/m0/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	17	n/a	n/a	n/a	n/a
Hungarian Academy of Sciences Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor in rat brain membrane by [35S]GTPgammaS binding assay				J Med Chem 54: 1462-72 (2011) Article DOI: 10.1021/jm101515v BindingDB Entry DOI: 10.7270/Q26T0MX9
					More data for this Ligand-Target Pair