BDBM50159685 5N-[1-[1-carbamoyl-2-phenyl-(1S)-ethylcarbamoyl]-2-phenyl-(1S)-ethyl]-1-[2-amino-3-(4-hydroxy-2,5-dimethylphenyl)-(2S)-propanoyl]-(5S)-dihydro-1H-5-pyrrolecarboxamide::CHEMBL367635

SMILES: Cc1cc(C[C@H](N)C(=O)N2CCCC2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c(C)cc1O

InChI Key: InChIKey=JKBSAZRICCYEQM-QNKVVAGZSA-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 = 50159685   

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))	BDBM50159685 (5N-[1-[1-carbamoyl-2-phenyl-(1S)-ethylcarbamoyl]-2...) Show SMILES Cc1cc(C[C@H](N)C(=O)N2CCCC2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c(C)cc1O Show InChI InChI=1S/C34H41N5O5/c1-21-17-30(40)22(2)16-25(21)20-26(35)34(44)39-15-9-14-29(39)33(43)38-28(19-24-12-7-4-8-13-24)32(42)37-27(31(36)41)18-23-10-5-3-6-11-23/h3-8,10-13,16-17,26-29,40H,9,14-15,18-20,35H2,1-2H3,(H2,36,41)(H,37,42)(H,38,43)/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	0.150	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))	BDBM50159685 (5N-[1-[1-carbamoyl-2-phenyl-(1S)-ethylcarbamoyl]-2...) Show SMILES Cc1cc(C[C@H](N)C(=O)N2CCCC2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c(C)cc1O Show InChI InChI=1S/C34H41N5O5/c1-21-17-30(40)22(2)16-25(21)20-26(35)34(44)39-15-9-14-29(39)33(43)38-28(19-24-12-7-4-8-13-24)32(42)37-27(31(36)41)18-23-10-5-3-6-11-23/h3-8,10-13,16-17,26-29,40H,9,14-15,18-20,35H2,1-2H3,(H2,36,41)(H,37,42)(H,38,43)/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	28.2	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
Mu-type opioid receptor (GUINEA PIG)	BDBM50159685 (5N-[1-[1-carbamoyl-2-phenyl-(1S)-ethylcarbamoyl]-2...) Show SMILES Cc1cc(C[C@H](N)C(=O)N2CCCC2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c(C)cc1O Show InChI InChI=1S/C34H41N5O5/c1-21-17-30(40)22(2)16-25(21)20-26(35)34(44)39-15-9-14-29(39)33(43)38-28(19-24-12-7-4-8-13-24)32(42)37-27(31(36)41)18-23-10-5-3-6-11-23/h3-8,10-13,16-17,26-29,40H,9,14-15,18-20,35H2,1-2H3,(H2,36,41)(H,37,42)(H,38,43)/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	0.261	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
Delta-type opioid receptor (MOUSE)	BDBM50159685 (5N-[1-[1-carbamoyl-2-phenyl-(1S)-ethylcarbamoyl]-2...) Show SMILES Cc1cc(C[C@H](N)C(=O)N2CCCC2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c(C)cc1O Show InChI InChI=1S/C34H41N5O5/c1-21-17-30(40)22(2)16-25(21)20-26(35)34(44)39-15-9-14-29(39)33(43)38-28(19-24-12-7-4-8-13-24)32(42)37-27(31(36)41)18-23-10-5-3-6-11-23/h3-8,10-13,16-17,26-29,40H,9,14-15,18-20,35H2,1-2H3,(H2,36,41)(H,37,42)(H,38,43)/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	0.590	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