BDBM50274687 CHEMBL4129548

SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(C=C)cc1)C(=O)NCC(N)=O

InChI Key: InChIKey=YMVMXEIOULJWCY-GVAUOCQISA-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 = 50274687   

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
Delta-type opioid receptor (MOUSE)	BDBM50274687 (CHEMBL4129548) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(C=C)cc1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C30H42N8O5/c1-4-19-7-9-20(10-8-19)14-25(28(42)36-16-26(32)40)38-29(43)24(6-5-11-35-30(33)34)37-27(41)23(31)15-22-17(2)12-21(39)13-18(22)3/h4,7-10,12-13,23-25,39H,1,5-6,11,14-16,31H2,2-3H3,(H2,32,40)(H,36,42)(H,37,41)(H,38,43)(H4,33,34,35)/t23-,24+,25-/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	1.42E+3	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
Mu-type opioid receptor (MOUSE)	BDBM50274687 (CHEMBL4129548) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(C=C)cc1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C30H42N8O5/c1-4-19-7-9-20(10-8-19)14-25(28(42)36-16-26(32)40)38-29(43)24(6-5-11-35-30(33)34)37-27(41)23(31)15-22-17(2)12-21(39)13-18(22)3/h4,7-10,12-13,23-25,39H,1,5-6,11,14-16,31H2,2-3H3,(H2,32,40)(H,36,42)(H,37,41)(H,38,43)(H4,33,34,35)/t23-,24+,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	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)	BDBM50274687 (CHEMBL4129548) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(C=C)cc1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C30H42N8O5/c1-4-19-7-9-20(10-8-19)14-25(28(42)36-16-26(32)40)38-29(43)24(6-5-11-35-30(33)34)37-27(41)23(31)15-22-17(2)12-21(39)13-18(22)3/h4,7-10,12-13,23-25,39H,1,5-6,11,14-16,31H2,2-3H3,(H2,32,40)(H,36,42)(H,37,41)(H,38,43)(H4,33,34,35)/t23-,24+,25-/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	430	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
Mu-type opioid receptor (GUINEA PIG)	BDBM50274687 (CHEMBL4129548) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(C=C)cc1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C30H42N8O5/c1-4-19-7-9-20(10-8-19)14-25(28(42)36-16-26(32)40)38-29(43)24(6-5-11-35-30(33)34)37-27(41)23(31)15-22-17(2)12-21(39)13-18(22)3/h4,7-10,12-13,23-25,39H,1,5-6,11,14-16,31H2,2-3H3,(H2,32,40)(H,36,42)(H,37,41)(H,38,43)(H4,33,34,35)/t23-,24+,25-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	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