BDBM50077083 4-[(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-phenyl-methyl]-N,N-diethyl-benzamide::CHEMBL27161

SMILES: CCN(CC)C(=O)c1ccc(cc1)C(N1CCN(Cc2ccc3OCOc3c2)CC1)c1ccccc1

InChI Key: InChIKey=GOLMFFFPKWMDPL-UHFFFAOYSA-N

Data: 3 IC50

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 = 50077083   

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))	BDBM50077083 (4-[(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCN(Cc2ccc3OCOc3c2)CC1)c1ccccc1 Show InChI InChI=1S/C30H35N3O3/c1-3-32(4-2)30(34)26-13-11-25(12-14-26)29(24-8-6-5-7-9-24)33-18-16-31(17-19-33)21-23-10-15-27-28(20-23)36-22-35-27/h5-15,20,29H,3-4,16-19,21-22H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description Inhibition of binding of [3H]- -naltrindole (0.15 nM) to membranes from CHO cells expressing Opioid receptor delta 1				Bioorg Med Chem Lett 9: 1329-34 (1999) BindingDB Entry DOI: 10.7270/Q2V40TCM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50077083 (4-[(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCN(Cc2ccc3OCOc3c2)CC1)c1ccccc1 Show InChI InChI=1S/C30H35N3O3/c1-3-32(4-2)30(34)26-13-11-25(12-14-26)29(24-8-6-5-7-9-24)33-18-16-31(17-19-33)21-23-10-15-27-28(20-23)36-22-35-27/h5-15,20,29H,3-4,16-19,21-22H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description Binding affinity towards mu opioid receptor using [3H]- -DAMGO (1.5 nM) as radioligand in rat brain membranes				Bioorg Med Chem Lett 9: 1329-34 (1999) BindingDB Entry DOI: 10.7270/Q2V40TCM
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50077083 (4-[(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-...) Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCN(Cc2ccc3OCOc3c2)CC1)c1ccccc1 Show InChI InChI=1S/C30H35N3O3/c1-3-32(4-2)30(34)26-13-11-25(12-14-26)29(24-8-6-5-7-9-24)33-18-16-31(17-19-33)21-23-10-15-27-28(20-23)36-22-35-27/h5-15,20,29H,3-4,16-19,21-22H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Ltd. Curated by ChEMBL					Assay Description Binding affinity towards Opioid receptor kappa 1 using [3H]- U-69,593 (1.5 nM) as radioligand in guinea pig brain membranes				Bioorg Med Chem Lett 9: 1329-34 (1999) BindingDB Entry DOI: 10.7270/Q2V40TCM
					More data for this Ligand-Target Pair