BDBM50092676 4-[(2,2-Dimethyl-2,3-dihydro-benzofuran-7-yl)-piperazin-1-yl-methyl]-N,N-diethyl-benzamide::CHEMBL127761

SMILES: CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1cccc2CC(C)(C)Oc12

InChI Key: InChIKey=JADQIZMTGFFEHQ-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 = 50092676   

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))	BDBM50092676 (4-[(2,2-Dimethyl-2,3-dihydro-benzofuran-7-yl)-pipe...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1cccc2CC(C)(C)Oc12 Show InChI InChI=1S/C26H35N3O2/c1-5-28(6-2)25(30)20-12-10-19(11-13-20)23(29-16-14-27-15-17-29)22-9-7-8-21-18-26(3,4)31-24(21)22/h7-13,23,27H,5-6,14-18H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	n/a	n/a	7.10	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))	BDBM50092676 (4-[(2,2-Dimethyl-2,3-dihydro-benzofuran-7-yl)-pipe...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1cccc2CC(C)(C)Oc12 Show InChI InChI=1S/C26H35N3O2/c1-5-28(6-2)25(30)20-12-10-19(11-13-20)23(29-16-14-27-15-17-29)22-9-7-8-21-18-26(3,4)31-24(21)22/h7-13,23,27H,5-6,14-18H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	>7.60E+3	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))	BDBM50092676 (4-[(2,2-Dimethyl-2,3-dihydro-benzofuran-7-yl)-pipe...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1cccc2CC(C)(C)Oc12 Show InChI InChI=1S/C26H35N3O2/c1-5-28(6-2)25(30)20-12-10-19(11-13-20)23(29-16-14-27-15-17-29)22-9-7-8-21-18-26(3,4)31-24(21)22/h7-13,23,27H,5-6,14-18H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	785	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))	BDBM50092676 (4-[(2,2-Dimethyl-2,3-dihydro-benzofuran-7-yl)-pipe...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCNCC1)c1cccc2CC(C)(C)Oc12 Show InChI InChI=1S/C26H35N3O2/c1-5-28(6-2)25(30)20-12-10-19(11-13-20)23(29-16-14-27-15-17-29)22-9-7-8-21-18-26(3,4)31-24(21)22/h7-13,23,27H,5-6,14-18H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	1.20	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