BDBM50339691 4-(dimethylamino)-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzamide::CHEMBL1688990

SMILES: COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)N(C)C)CC1

InChI Key: InChIKey=LBZHOUJGVUYWGV-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50339691   

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
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50339691 (4-(dimethylamino)-N-(4-(4-(2-methoxyphenyl)piperaz...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)N(C)C)CC1 Show InChI InChI=1S/C24H34N4O2/c1-26(2)21-12-10-20(11-13-21)24(29)25-14-6-7-15-27-16-18-28(19-17-27)22-8-4-5-9-23(22)30-3/h4-5,8-13H,6-7,14-19H2,1-3H3,(H,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of of [125I]-IABN from human D3 receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay				Bioorg Med Chem Lett 25: 519-23 (2015) Article DOI: 10.1016/j.bmcl.2014.12.023 BindingDB Entry DOI: 10.7270/Q27W6DS9
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50339691 (4-(dimethylamino)-N-(4-(4-(2-methoxyphenyl)piperaz...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)N(C)C)CC1 Show InChI InChI=1S/C24H34N4O2/c1-26(2)21-12-10-20(11-13-21)24(29)25-14-6-7-15-27-16-18-28(19-17-27)22-8-4-5-9-23(22)30-3/h4-5,8-13H,6-7,14-19H2,1-3H3,(H,25,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]-IABN from human D3 receptor transfected in human HEK 293 cells by gamma-counting				J Med Chem 54: 1555-64 (2011) Article DOI: 10.1021/jm101323b BindingDB Entry DOI: 10.7270/Q2WD40W0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50339691 (4-(dimethylamino)-N-(4-(4-(2-methoxyphenyl)piperaz...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)N(C)C)CC1 Show InChI InChI=1S/C24H34N4O2/c1-26(2)21-12-10-20(11-13-21)24(29)25-14-6-7-15-27-16-18-28(19-17-27)22-8-4-5-9-23(22)30-3/h4-5,8-13H,6-7,14-19H2,1-3H3,(H,25,29)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of of [3H]8-OH-DPAT from human 5HT1A receptor after 60 mins by filtration binding assay				Bioorg Med Chem Lett 25: 519-23 (2015) Article DOI: 10.1016/j.bmcl.2014.12.023 BindingDB Entry DOI: 10.7270/Q27W6DS9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50339691 (4-(dimethylamino)-N-(4-(4-(2-methoxyphenyl)piperaz...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)N(C)C)CC1 Show InChI InChI=1S/C24H34N4O2/c1-26(2)21-12-10-20(11-13-21)24(29)25-14-6-7-15-27-16-18-28(19-17-27)22-8-4-5-9-23(22)30-3/h4-5,8-13H,6-7,14-19H2,1-3H3,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of of [125I]-IABN from human D2 long receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay				Bioorg Med Chem Lett 25: 519-23 (2015) Article DOI: 10.1016/j.bmcl.2014.12.023 BindingDB Entry DOI: 10.7270/Q27W6DS9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50339691 (4-(dimethylamino)-N-(4-(4-(2-methoxyphenyl)piperaz...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)N(C)C)CC1 Show InChI InChI=1S/C24H34N4O2/c1-26(2)21-12-10-20(11-13-21)24(29)25-14-6-7-15-27-16-18-28(19-17-27)22-8-4-5-9-23(22)30-3/h4-5,8-13H,6-7,14-19H2,1-3H3,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]-IABN from human D2 receptor transfected in human HEK 293 cells by gamma-counting				J Med Chem 54: 1555-64 (2011) Article DOI: 10.1021/jm101323b BindingDB Entry DOI: 10.7270/Q2WD40W0
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50339691 (4-(dimethylamino)-N-(4-(4-(2-methoxyphenyl)piperaz...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)N(C)C)CC1 Show InChI InChI=1S/C24H34N4O2/c1-26(2)21-12-10-20(11-13-21)24(29)25-14-6-7-15-27-16-18-28(19-17-27)22-8-4-5-9-23(22)30-3/h4-5,8-13H,6-7,14-19H2,1-3H3,(H,25,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	896	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of of [125I]-IABN from human D4 receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay				Bioorg Med Chem Lett 25: 519-23 (2015) Article DOI: 10.1016/j.bmcl.2014.12.023 BindingDB Entry DOI: 10.7270/Q27W6DS9
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50339691 (4-(dimethylamino)-N-(4-(4-(2-methoxyphenyl)piperaz...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)N(C)C)CC1 Show InChI InChI=1S/C24H34N4O2/c1-26(2)21-12-10-20(11-13-21)24(29)25-14-6-7-15-27-16-18-28(19-17-27)22-8-4-5-9-23(22)30-3/h4-5,8-13H,6-7,14-19H2,1-3H3,(H,25,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	896	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to human D4 receptor transfected in human HEK293 cells by gamma-counting				J Med Chem 54: 1555-64 (2011) Article DOI: 10.1021/jm101323b BindingDB Entry DOI: 10.7270/Q2WD40W0
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50339691 (4-(dimethylamino)-N-(4-(4-(2-methoxyphenyl)piperaz...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)N(C)C)CC1 Show InChI InChI=1S/C24H34N4O2/c1-26(2)21-12-10-20(11-13-21)24(29)25-14-6-7-15-27-16-18-28(19-17-27)22-8-4-5-9-23(22)30-3/h4-5,8-13H,6-7,14-19H2,1-3H3,(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]-pentazocine from guinea pig sigma1 receptor by liquid scintillation counting				J Med Chem 54: 1555-64 (2011) Article DOI: 10.1021/jm101323b BindingDB Entry DOI: 10.7270/Q2WD40W0
					More data for this Ligand-Target Pair
Sigma-2 (RAT)	BDBM50339691 (4-(dimethylamino)-N-(4-(4-(2-methoxyphenyl)piperaz...) Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)N(C)C)CC1 Show InChI InChI=1S/C24H34N4O2/c1-26(2)21-12-10-20(11-13-21)24(29)25-14-6-7-15-27-16-18-28(19-17-27)22-8-4-5-9-23(22)30-3/h4-5,8-13H,6-7,14-19H2,1-3H3,(H,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.57E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]-DTG from rat sigma2 receptor by liquid scintillation counting				J Med Chem 54: 1555-64 (2011) Article DOI: 10.1021/jm101323b BindingDB Entry DOI: 10.7270/Q2WD40W0
					More data for this Ligand-Target Pair