BDBM50274695 CHEMBL4127702

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

InChI Key: InChIKey=ILPSPIMQHZJXNK-ZRBLBEILSA-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 = 50274695   

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 (MOUSE)	BDBM50274695 (CHEMBL4127702) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C28H39ClN8O5/c1-15-10-19(38)11-16(2)20(15)13-21(30)25(40)36-22(4-3-9-34-28(32)33)27(42)37-23(26(41)35-14-24(31)39)12-17-5-7-18(29)8-6-17/h5-8,10-11,21-23,38H,3-4,9,12-14,30H2,1-2H3,(H2,31,39)(H,35,41)(H,36,40)(H,37,42)(H4,32,33,34)/t21-,22+,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.350	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)	BDBM50274695 (CHEMBL4127702) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C28H39ClN8O5/c1-15-10-19(38)11-16(2)20(15)13-21(30)25(40)36-22(4-3-9-34-28(32)33)27(42)37-23(26(41)35-14-24(31)39)12-17-5-7-18(29)8-6-17/h5-8,10-11,21-23,38H,3-4,9,12-14,30H2,1-2H3,(H2,31,39)(H,35,41)(H,36,40)(H,37,42)(H4,32,33,34)/t21-,22+,23-/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	346	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)	BDBM50274695 (CHEMBL4127702) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C28H39ClN8O5/c1-15-10-19(38)11-16(2)20(15)13-21(30)25(40)36-22(4-3-9-34-28(32)33)27(42)37-23(26(41)35-14-24(31)39)12-17-5-7-18(29)8-6-17/h5-8,10-11,21-23,38H,3-4,9,12-14,30H2,1-2H3,(H2,31,39)(H,35,41)(H,36,40)(H,37,42)(H4,32,33,34)/t21-,22+,23-/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	1.60	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)	BDBM50274695 (CHEMBL4127702) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C28H39ClN8O5/c1-15-10-19(38)11-16(2)20(15)13-21(30)25(40)36-22(4-3-9-34-28(32)33)27(42)37-23(26(41)35-14-24(31)39)12-17-5-7-18(29)8-6-17/h5-8,10-11,21-23,38H,3-4,9,12-14,30H2,1-2H3,(H2,31,39)(H,35,41)(H,36,40)(H,37,42)(H4,32,33,34)/t21-,22+,23-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	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