null

SMILES: COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)COCc1ccccc1

InChI Key: InChIKey=LLBRWVMYXVTZHI-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50276444   

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 (Homo sapiens (Human))	BDBM50276444 ((+/-)-2-(benzyloxy)-N-(2-methoxyethyl)-N-(2-(4-phe...) Show SMILES COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)COCc1ccccc1 |c:7| Show InChI InChI=1S/C32H37N3O3/c1-37-23-22-35(31(36)25-38-24-26-10-4-2-5-11-26)32-29-15-9-8-12-27(29)16-17-30(32)34-20-18-33(19-21-34)28-13-6-3-7-14-28/h2-17,30,32H,18-25H2,1H3	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	3.89E+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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50276444 ((+/-)-2-(benzyloxy)-N-(2-methoxyethyl)-N-(2-(4-phe...) Show SMILES COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)COCc1ccccc1 |c:7| Show InChI InChI=1S/C32H37N3O3/c1-37-23-22-35(31(36)25-38-24-26-10-4-2-5-11-26)32-29-15-9-8-12-27(29)16-17-30(32)34-20-18-33(19-21-34)28-13-6-3-7-14-28/h2-17,30,32H,18-25H2,1H3	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	>1.00E+4	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))	BDBM50276444 ((+/-)-2-(benzyloxy)-N-(2-methoxyethyl)-N-(2-(4-phe...) Show SMILES COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)COCc1ccccc1 |c:7| Show InChI InChI=1S/C32H37N3O3/c1-37-23-22-35(31(36)25-38-24-26-10-4-2-5-11-26)32-29-15-9-8-12-27(29)16-17-30(32)34-20-18-33(19-21-34)28-13-6-3-7-14-28/h2-17,30,32H,18-25H2,1H3	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	211	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50276444 ((+/-)-2-(benzyloxy)-N-(2-methoxyethyl)-N-(2-(4-phe...) Show SMILES COCCN(C1C(C=Cc2ccccc12)N1CCN(CC1)c1ccccc1)C(=O)COCc1ccccc1 |c:7| Show InChI InChI=1S/C32H37N3O3/c1-37-23-22-35(31(36)25-38-24-26-10-4-2-5-11-26)32-29-15-9-8-12-27(29)16-17-30(32)34-20-18-33(19-21-34)28-13-6-3-7-14-28/h2-17,30,32H,18-25H2,1H3	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