BDBM50098461 CHEMBL355580::N,N-Diethyl-4-{(3-methoxy-phenyl)-[3-methyl-1-(3-phenyl-allyl)-piperidin-4-yl]-amino}-benzamide

SMILES: CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1CCN(C\C=C\c2ccccc2)C[C@@H]1C)c1cccc(OC)c1

InChI Key: InChIKey=HQFRWUIYOKLMKL-RAIFYMORSA-N

Data: 3 KI

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 3 hits for monomerid = 50098461   

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
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50098461 (CHEMBL355580 | N,N-Diethyl-4-{(3-methoxy-phenyl)-[...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1CCN(C\C=C\c2ccccc2)C[C@@H]1C)c1cccc(OC)c1 Show InChI InChI=1S/C33H41N3O2/c1-5-35(6-2)33(37)28-17-19-29(20-18-28)36(30-15-10-16-31(24-30)38-4)32-21-23-34(25-26(32)3)22-11-14-27-12-8-7-9-13-27/h7-20,24,26,32H,5-6,21-23,25H2,1-4H3/b14-11+/t26-,32+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Affinity of [H]DADLE to the delta opioid receptor from rat brain				J Med Chem 44: 972-87 (2001) BindingDB Entry DOI: 10.7270/Q2V69K8G
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50098461 (CHEMBL355580 | N,N-Diethyl-4-{(3-methoxy-phenyl)-[...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1CCN(C\C=C\c2ccccc2)C[C@@H]1C)c1cccc(OC)c1 Show InChI InChI=1S/C33H41N3O2/c1-5-35(6-2)33(37)28-17-19-29(20-18-28)36(30-15-10-16-31(24-30)38-4)32-21-23-34(25-26(32)3)22-11-14-27-12-8-7-9-13-27/h7-20,24,26,32H,5-6,21-23,25H2,1-4H3/b14-11+/t26-,32+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>6.54E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Affinity of [3H]DAMGO to the mu opioid receptor from rat brain				J Med Chem 44: 972-87 (2001) BindingDB Entry DOI: 10.7270/Q2V69K8G
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50098461 (CHEMBL355580 | N,N-Diethyl-4-{(3-methoxy-phenyl)-[...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)N([C@@H]1CCN(C\C=C\c2ccccc2)C[C@@H]1C)c1cccc(OC)c1 Show InChI InChI=1S/C33H41N3O2/c1-5-35(6-2)33(37)28-17-19-29(20-18-28)36(30-15-10-16-31(24-30)38-4)32-21-23-34(25-26(32)3)22-11-14-27-12-8-7-9-13-27/h7-20,24,26,32H,5-6,21-23,25H2,1-4H3/b14-11+/t26-,32+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>7.46E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Affinity of [3H]U-69593 to opioid receptor kappa 1 from rat brain				J Med Chem 44: 972-87 (2001) BindingDB Entry DOI: 10.7270/Q2V69K8G
					More data for this Ligand-Target Pair