null

SMILES: COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)Cc1ccc(Cl)cc1

InChI Key: InChIKey=XBLICIQHPJUYCZ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50276446   

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 (Homo sapiens (Human))	BDBM50276446 ((+/-)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-N-(2-(...) Show SMILES COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)Cc1ccc(Cl)cc1 |c:7| Show InChI InChI=1S/C31H34ClN3O2/c1-37-22-21-35(30(36)23-24-11-14-26(32)15-12-24)31-28-10-6-5-7-25(28)13-16-29(31)34-19-17-33(18-20-34)27-8-3-2-4-9-27/h2-16,29,31H,17-23H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>9.00E+4	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Agonist activity at human cloned mu opioid receptor by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 19: 1228-32 (2009) Article DOI: 10.1016/j.bmcl.2008.12.095 BindingDB Entry DOI: 10.7270/Q2GT5N2W
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50276446 ((+/-)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-N-(2-(...) Show SMILES COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)Cc1ccc(Cl)cc1 |c:7| Show InChI InChI=1S/C31H34ClN3O2/c1-37-22-21-35(30(36)23-24-11-14-26(32)15-12-24)31-28-10-6-5-7-25(28)13-16-29(31)34-19-17-33(18-20-34)27-8-3-2-4-9-27/h2-16,29,31H,17-23H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Displacement of [125I]U69593 from human cloned kappa opioid receptor				Bioorg Med Chem Lett 19: 1228-32 (2009) Article DOI: 10.1016/j.bmcl.2008.12.095 BindingDB Entry DOI: 10.7270/Q2GT5N2W
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50276446 ((+/-)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-N-(2-(...) Show SMILES COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)Cc1ccc(Cl)cc1 |c:7| Show InChI InChI=1S/C31H34ClN3O2/c1-37-22-21-35(30(36)23-24-11-14-26(32)15-12-24)31-28-10-6-5-7-25(28)13-16-29(31)34-19-17-33(18-20-34)27-8-3-2-4-9-27/h2-16,29,31H,17-23H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	181	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Displacement of [125I]FK33824 from human cloned mu opioid receptor				Bioorg Med Chem Lett 19: 1228-32 (2009) Article DOI: 10.1016/j.bmcl.2008.12.095 BindingDB Entry DOI: 10.7270/Q2GT5N2W
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50276446 ((+/-)-2-(4-chlorophenyl)-N-(2-methoxyethyl)-N-(2-(...) Show SMILES COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)Cc1ccc(Cl)cc1 |c:7| Show InChI InChI=1S/C31H34ClN3O2/c1-37-22-21-35(30(36)23-24-11-14-26(32)15-12-24)31-28-10-6-5-7-25(28)13-16-29(31)34-19-17-33(18-20-34)27-8-3-2-4-9-27/h2-16,29,31H,17-23H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Displacement of [125I]deltorphin 2 from human cloned delta opioid receptor				Bioorg Med Chem Lett 19: 1228-32 (2009) Article DOI: 10.1016/j.bmcl.2008.12.095 BindingDB Entry DOI: 10.7270/Q2GT5N2W
					More data for this Ligand-Target Pair