BDBM50274733 CHEMBL4127080

SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1-c1ccccc1)C(=O)NCC(N)=O

InChI Key: InChIKey=KCJRXZKWDKTEFK-NHKHRBQYSA-N

Data: 4 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 = 50274733   

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 (GUINEA PIG)	BDBM50274733 (CHEMBL4127080) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1-c1ccccc1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C34H44N8O5/c1-20-15-24(43)16-21(2)26(20)18-27(35)31(45)41-28(13-8-14-39-34(37)38)33(47)42-29(32(46)40-19-30(36)44)17-23-11-6-7-12-25(23)22-9-4-3-5-10-22/h3-7,9-12,15-16,27-29,43H,8,13-14,17-19,35H2,1-2H3,(H2,36,44)(H,40,46)(H,41,45)(H,42,47)(H4,37,38,39)/t27-,28+,29-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Agonist activity at mu-opioid receptor in guinea pig ileum assessed as inhibition of electrically induced contractions				Bioorg Med Chem Lett 28: 2320-2323 (2018) Article DOI: 10.1016/j.bmcl.2018.05.015 BindingDB Entry DOI: 10.7270/Q2KW5JJJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM50274733 (CHEMBL4127080) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1-c1ccccc1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C34H44N8O5/c1-20-15-24(43)16-21(2)26(20)18-27(35)31(45)41-28(13-8-14-39-34(37)38)33(47)42-29(32(46)40-19-30(36)44)17-23-11-6-7-12-25(23)22-9-4-3-5-10-22/h3-7,9-12,15-16,27-29,43H,8,13-14,17-19,35H2,1-2H3,(H2,36,44)(H,40,46)(H,41,45)(H,42,47)(H4,37,38,39)/t27-,28+,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [125I]-DAMGO from mouse Flag-tagged mu-opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting				Bioorg Med Chem Lett 28: 2320-2323 (2018) Article DOI: 10.1016/j.bmcl.2018.05.015 BindingDB Entry DOI: 10.7270/Q2KW5JJJ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50274733 (CHEMBL4127080) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1-c1ccccc1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C34H44N8O5/c1-20-15-24(43)16-21(2)26(20)18-27(35)31(45)41-28(13-8-14-39-34(37)38)33(47)42-29(32(46)40-19-30(36)44)17-23-11-6-7-12-25(23)22-9-4-3-5-10-22/h3-7,9-12,15-16,27-29,43H,8,13-14,17-19,35H2,1-2H3,(H2,36,44)(H,40,46)(H,41,45)(H,42,47)(H4,37,38,39)/t27-,28+,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Displacement of [125I]-Deltorphin 2 from mouse Flag-tagged delta-opioid receptor expressed in HEK293 cell membranes after 60 mins by gamma counting				Bioorg Med Chem Lett 28: 2320-2323 (2018) Article DOI: 10.1016/j.bmcl.2018.05.015 BindingDB Entry DOI: 10.7270/Q2KW5JJJ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50274733 (CHEMBL4127080) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1-c1ccccc1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C34H44N8O5/c1-20-15-24(43)16-21(2)26(20)18-27(35)31(45)41-28(13-8-14-39-34(37)38)33(47)42-29(32(46)40-19-30(36)44)17-23-11-6-7-12-25(23)22-9-4-3-5-10-22/h3-7,9-12,15-16,27-29,43H,8,13-14,17-19,35H2,1-2H3,(H2,36,44)(H,40,46)(H,41,45)(H,42,47)(H4,37,38,39)/t27-,28+,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Brussel Curated by ChEMBL					Assay Description Agonist activity at delta-opioid receptor in mouse vasa deferens assessed as inhibition of electrically induced contractions				Bioorg Med Chem Lett 28: 2320-2323 (2018) Article DOI: 10.1016/j.bmcl.2018.05.015 BindingDB Entry DOI: 10.7270/Q2KW5JJJ
					More data for this Ligand-Target Pair