BDBM50077082 CHEMBL150430::CHEMBL27944::N,N-Diethyl-4-[phenyl-(4-propyl-piperazin-1-yl)-methyl]-benzamide

SMILES: CCCN1CCN(CC1)C(c1ccccc1)c1ccc(cc1)C(=O)N(CC)CC

InChI Key: InChIKey=IQBKPSJJCJIRLC-UHFFFAOYSA-N

Data: 3 KI  2 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 5 hits for monomerid = 50077082   

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))	BDBM50077082 (CHEMBL150430 | CHEMBL27944 | N,N-Diethyl-4-[phenyl...) Show SMILES CCCN1CCN(CC1)C(c1ccccc1)c1ccc(cc1)C(=O)N(CC)CC Show InChI InChI=1S/C25H35N3O/c1-4-16-26-17-19-28(20-18-26)24(21-10-8-7-9-11-21)22-12-14-23(15-13-22)25(29)27(5-2)6-3/h7-15,24H,4-6,16-20H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description In vitro binding affinity to Opioid receptor delta 1 in rat brain membranes by [3H]DADLE (Tyr-D-Ala-Gly-Phe-D-Leu) displacement.				J Med Chem 42: 5455-63 (2000) BindingDB Entry DOI: 10.7270/Q2QJ7J0X
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50077082 (CHEMBL150430 | CHEMBL27944 | N,N-Diethyl-4-[phenyl...) Show SMILES CCCN1CCN(CC1)C(c1ccccc1)c1ccc(cc1)C(=O)N(CC)CC Show InChI InChI=1S/C25H35N3O/c1-4-16-26-17-19-28(20-18-26)24(21-10-8-7-9-11-21)22-12-14-23(15-13-22)25(29)27(5-2)6-3/h7-15,24H,4-6,16-20H2,1-3H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description In vitro radioligand binding assay, for inhibition of [3H]U-69593 binding to Opioid receptor kappa 1, in guinea pig brain membranes, at highest conce...				J Med Chem 42: 5455-63 (2000) BindingDB Entry DOI: 10.7270/Q2QJ7J0X
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50077082 (CHEMBL150430 | CHEMBL27944 | N,N-Diethyl-4-[phenyl...) Show SMILES CCCN1CCN(CC1)C(c1ccccc1)c1ccc(cc1)C(=O)N(CC)CC Show InChI InChI=1S/C25H35N3O/c1-4-16-26-17-19-28(20-18-26)24(21-10-8-7-9-11-21)22-12-14-23(15-13-22)25(29)27(5-2)6-3/h7-15,24H,4-6,16-20H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description In vitro radioligand binding assay, for inhibition of [3H]DAMGO (Tyr-D-Ala-Gly-(Me)-Phe-Gly-ol) binding to Opioid receptor mu 1 in rat brain membrane...				J Med Chem 42: 5455-63 (2000) BindingDB Entry DOI: 10.7270/Q2QJ7J0X
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50077082 (CHEMBL150430 | CHEMBL27944 | N,N-Diethyl-4-[phenyl...) Show SMILES CCCN1CCN(CC1)C(c1ccccc1)c1ccc(cc1)C(=O)N(CC)CC Show InChI InChI=1S/C25H35N3O/c1-4-16-26-17-19-28(20-18-26)24(21-10-8-7-9-11-21)22-12-14-23(15-13-22)25(29)27(5-2)6-3/h7-15,24H,4-6,16-20H2,1-3H3	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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50077082 (CHEMBL150430 | CHEMBL27944 | N,N-Diethyl-4-[phenyl...) Show SMILES CCCN1CCN(CC1)C(c1ccccc1)c1ccc(cc1)C(=O)N(CC)CC Show InChI InChI=1S/C25H35N3O/c1-4-16-26-17-19-28(20-18-26)24(21-10-8-7-9-11-21)22-12-14-23(15-13-22)25(29)27(5-2)6-3/h7-15,24H,4-6,16-20H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	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