BDBM50092681 CHEMBL127434::N,N-Diethyl-4-[(3-methoxy-phenyl)-(2,5,5-trimethyl-piperazin-1-yl)-methyl]-benzamide

SMILES: CCN(CC)C(=O)c1ccc(cc1)C(N1CC(C)(C)NCC1C)c1cccc(OC)c1

InChI Key: InChIKey=HAILLLUQXQOSOC-UHFFFAOYSA-N

Data: 3 IC50  1 EC50

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 = 50092681   

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))	BDBM50092681 (CHEMBL127434 | N,N-Diethyl-4-[(3-methoxy-phenyl)-(...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CC(C)(C)NCC1C)c1cccc(OC)c1 Show InChI InChI=1S/C26H37N3O2/c1-7-28(8-2)25(30)21-14-12-20(13-15-21)24(22-10-9-11-23(16-22)31-6)29-18-26(4,5)27-17-19(29)3/h9-16,19,24,27H,7-8,17-18H2,1-6H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Agonist potency was measured using GTP gamma-[35S] binding assay				J Med Chem 43: 3878-94 (2000) BindingDB Entry DOI: 10.7270/Q2QN661W
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50092681 (CHEMBL127434 | N,N-Diethyl-4-[(3-methoxy-phenyl)-(...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CC(C)(C)NCC1C)c1cccc(OC)c1 Show InChI InChI=1S/C26H37N3O2/c1-7-28(8-2)25(30)21-14-12-20(13-15-21)24(22-10-9-11-23(16-22)31-6)29-18-26(4,5)27-17-19(29)3/h9-16,19,24,27H,7-8,17-18H2,1-6H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity against cloned human Opioid receptor kappa 1 using [125I]-D-Pro10-dynorphin A[1-11] as radioligand				J Med Chem 43: 3878-94 (2000) BindingDB Entry DOI: 10.7270/Q2QN661W
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50092681 (CHEMBL127434 | N,N-Diethyl-4-[(3-methoxy-phenyl)-(...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CC(C)(C)NCC1C)c1cccc(OC)c1 Show InChI InChI=1S/C26H37N3O2/c1-7-28(8-2)25(30)21-14-12-20(13-15-21)24(22-10-9-11-23(16-22)31-6)29-18-26(4,5)27-17-19(29)3/h9-16,19,24,27H,7-8,17-18H2,1-6H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity against cloned human Opioid receptor mu 1 using [125I]FK33824 as radioligand				J Med Chem 43: 3878-94 (2000) BindingDB Entry DOI: 10.7270/Q2QN661W
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50092681 (CHEMBL127434 | N,N-Diethyl-4-[(3-methoxy-phenyl)-(...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CC(C)(C)NCC1C)c1cccc(OC)c1 Show InChI InChI=1S/C26H37N3O2/c1-7-28(8-2)25(30)21-14-12-20(13-15-21)24(22-10-9-11-23(16-22)31-6)29-18-26(4,5)27-17-19(29)3/h9-16,19,24,27H,7-8,17-18H2,1-6H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Binding affinity against human opioid receptor delta 1 using [125I]-[D-Ala2]-deltorphin II as radioligand				J Med Chem 43: 3878-94 (2000) BindingDB Entry DOI: 10.7270/Q2QN661W
					More data for this Ligand-Target Pair