BDBM50129433 CHEMBL71327::N-{(E)-4-[4-(2,3-Dichloro-phenyl)-piperazin-1-yl]-but-2-enyl}-benzamide::N-{4-[4-(2,3-Dichloro-phenyl)-piperazin-1-yl]-but-2-enyl}-benzamide

SMILES: Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccccc3)CC2)c1Cl

InChI Key: InChIKey=DHOCETPWLQILEE-SNAWJCMRSA-N

Data: 10 KI  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 14 hits for monomerid = 50129433   

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))	BDBM50129433 (CHEMBL71327 | N-{(E)-4-[4-(2,3-Dichloro-phenyl)-pi...) Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccccc3)CC2)c1Cl Show InChI InChI=1S/C21H23Cl2N3O/c22-18-9-6-10-19(20(18)23)26-15-13-25(14-16-26)12-5-4-11-24-21(27)17-7-2-1-3-8-17/h1-10H,11-16H2,(H,24,27)/b5-4+	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
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Inhibition of [125I]IABN binding to human Dopamine D3 receptor expressed in HEK 293 cells				J Med Chem 48: 3663-79 (2005) Article DOI: 10.1021/jm040190e BindingDB Entry DOI: 10.7270/Q2474BNF
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50129433 (CHEMBL71327 | N-{(E)-4-[4-(2,3-Dichloro-phenyl)-pi...) Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccccc3)CC2)c1Cl Show InChI InChI=1S/C21H23Cl2N3O/c22-18-9-6-10-19(20(18)23)26-15-13-25(14-16-26)12-5-4-11-24-21(27)17-7-2-1-3-8-17/h1-10H,11-16H2,(H,24,27)/b5-4+	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
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Binding affinity for human dopamine D3 receptor				J Med Chem 48: 839-48 (2005) Article DOI: 10.1021/jm049465g BindingDB Entry DOI: 10.7270/Q27H1J4R
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50129433 (CHEMBL71327 | N-{(E)-4-[4-(2,3-Dichloro-phenyl)-pi...) Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccccc3)CC2)c1Cl Show InChI InChI=1S/C21H23Cl2N3O/c22-18-9-6-10-19(20(18)23)26-15-13-25(14-16-26)12-5-4-11-24-21(27)17-7-2-1-3-8-17/h1-10H,11-16H2,(H,24,27)/b5-4+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Binding affinity towards rat Dopamine receptor D3 in Sf9 cells expressing in recombinant baculovirus (Bv) using [125I]-IABN as radioligand				Bioorg Med Chem Lett 13: 2179-83 (2003) BindingDB Entry DOI: 10.7270/Q21Z43SN
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50129433 (CHEMBL71327 | N-{(E)-4-[4-(2,3-Dichloro-phenyl)-pi...) Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccccc3)CC2)c1Cl Show InChI InChI=1S/C21H23Cl2N3O/c22-18-9-6-10-19(20(18)23)26-15-13-25(14-16-26)12-5-4-11-24-21(27)17-7-2-1-3-8-17/h1-10H,11-16H2,(H,24,27)/b5-4+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Inhibition of [125I]IABN binding to rat Dopamine D3 receptor expressed in HEK 293 cells				J Med Chem 48: 3663-79 (2005) Article DOI: 10.1021/jm040190e BindingDB Entry DOI: 10.7270/Q2474BNF
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50129433 (CHEMBL71327 | N-{(E)-4-[4-(2,3-Dichloro-phenyl)-pi...) Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccccc3)CC2)c1Cl Show InChI InChI=1S/C21H23Cl2N3O/c22-18-9-6-10-19(20(18)23)26-15-13-25(14-16-26)12-5-4-11-24-21(27)17-7-2-1-3-8-17/h1-10H,11-16H2,(H,24,27)/b5-4+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Inhibition of [125I]IABN binding to human Dopamine D2L receptor expressed in HEK 293 cells				J Med Chem 48: 3663-79 (2005) Article DOI: 10.1021/jm040190e BindingDB Entry DOI: 10.7270/Q2474BNF
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50129433 (CHEMBL71327 | N-{(E)-4-[4-(2,3-Dichloro-phenyl)-pi...) Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccccc3)CC2)c1Cl Show InChI InChI=1S/C21H23Cl2N3O/c22-18-9-6-10-19(20(18)23)26-15-13-25(14-16-26)12-5-4-11-24-21(27)17-7-2-1-3-8-17/h1-10H,11-16H2,(H,24,27)/b5-4+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Binding affinity for human dopamine D2 receptor				J Med Chem 48: 839-48 (2005) Article DOI: 10.1021/jm049465g BindingDB Entry DOI: 10.7270/Q27H1J4R
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50129433 (CHEMBL71327 | N-{(E)-4-[4-(2,3-Dichloro-phenyl)-pi...) Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccccc3)CC2)c1Cl Show InChI InChI=1S/C21H23Cl2N3O/c22-18-9-6-10-19(20(18)23)26-15-13-25(14-16-26)12-5-4-11-24-21(27)17-7-2-1-3-8-17/h1-10H,11-16H2,(H,24,27)/b5-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.02	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Inhibition of [3H]YM-09151-2 binding to human Dopamine D3 receptor expressed in CHO cells				J Med Chem 48: 3663-79 (2005) Article DOI: 10.1021/jm040190e BindingDB Entry DOI: 10.7270/Q2474BNF
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50129433 (CHEMBL71327 | N-{(E)-4-[4-(2,3-Dichloro-phenyl)-pi...) Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccccc3)CC2)c1Cl Show InChI InChI=1S/C21H23Cl2N3O/c22-18-9-6-10-19(20(18)23)26-15-13-25(14-16-26)12-5-4-11-24-21(27)17-7-2-1-3-8-17/h1-10H,11-16H2,(H,24,27)/b5-4+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Inhibition of [3H]YM-09151-2 binding to human Dopamine D2L receptor expressed in CHO cells				J Med Chem 48: 3663-79 (2005) Article DOI: 10.1021/jm040190e BindingDB Entry DOI: 10.7270/Q2474BNF
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50129433 (CHEMBL71327 | N-{(E)-4-[4-(2,3-Dichloro-phenyl)-pi...) Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccccc3)CC2)c1Cl Show InChI InChI=1S/C21H23Cl2N3O/c22-18-9-6-10-19(20(18)23)26-15-13-25(14-16-26)12-5-4-11-24-21(27)17-7-2-1-3-8-17/h1-10H,11-16H2,(H,24,27)/b5-4+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Binding affinity towards rat Dopamine receptor D2 in Sf9 cells expressing in recombinant baculovirus (Bv) using [125I]-IABN as radioligand				Bioorg Med Chem Lett 13: 2179-83 (2003) BindingDB Entry DOI: 10.7270/Q21Z43SN
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50129433 (CHEMBL71327 | N-{(E)-4-[4-(2,3-Dichloro-phenyl)-pi...) Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccccc3)CC2)c1Cl Show InChI InChI=1S/C21H23Cl2N3O/c22-18-9-6-10-19(20(18)23)26-15-13-25(14-16-26)12-5-4-11-24-21(27)17-7-2-1-3-8-17/h1-10H,11-16H2,(H,24,27)/b5-4+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Inhibition of [125I]IABN binding to rat Dopamine D2L receptor expressed in HEK 293 cells				J Med Chem 48: 3663-79 (2005) Article DOI: 10.1021/jm040190e BindingDB Entry DOI: 10.7270/Q2474BNF
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50129433 (CHEMBL71327 | N-{(E)-4-[4-(2,3-Dichloro-phenyl)-pi...) Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccccc3)CC2)c1Cl Show InChI InChI=1S/C21H23Cl2N3O/c22-18-9-6-10-19(20(18)23)26-15-13-25(14-16-26)12-5-4-11-24-21(27)17-7-2-1-3-8-17/h1-10H,11-16H2,(H,24,27)/b5-4+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16.1	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Mitogenic stimulation or antagonism of 30 nM quinpirole-stimulated mitogenesis in CHO cells expressing human dopamine D2 receptor				J Med Chem 48: 3663-79 (2005) Article DOI: 10.1021/jm040190e BindingDB Entry DOI: 10.7270/Q2474BNF
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50129433 (CHEMBL71327 | N-{(E)-4-[4-(2,3-Dichloro-phenyl)-pi...) Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccccc3)CC2)c1Cl Show InChI InChI=1S/C21H23Cl2N3O/c22-18-9-6-10-19(20(18)23)26-15-13-25(14-16-26)12-5-4-11-24-21(27)17-7-2-1-3-8-17/h1-10H,11-16H2,(H,24,27)/b5-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.71	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Mitogenic stimulation or antagonism of 30 nM quinpirole-stimulated mitogenesis in CHO cells expressing human dopamine D3 receptor				J Med Chem 48: 3663-79 (2005) Article DOI: 10.1021/jm040190e BindingDB Entry DOI: 10.7270/Q2474BNF
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50129433 (CHEMBL71327 | N-{(E)-4-[4-(2,3-Dichloro-phenyl)-pi...) Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccccc3)CC2)c1Cl Show InChI InChI=1S/C21H23Cl2N3O/c22-18-9-6-10-19(20(18)23)26-15-13-25(14-16-26)12-5-4-11-24-21(27)17-7-2-1-3-8-17/h1-10H,11-16H2,(H,24,27)/b5-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Stimulation of quinpirole stimulation of mitogenesis in human Dopamine receptor D3 transfected CHO cells				Bioorg Med Chem Lett 13: 2179-83 (2003) BindingDB Entry DOI: 10.7270/Q21Z43SN
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50129433 (CHEMBL71327 | N-{(E)-4-[4-(2,3-Dichloro-phenyl)-pi...) Show SMILES Clc1cccc(N2CCN(C\C=C\CNC(=O)c3ccccc3)CC2)c1Cl Show InChI InChI=1S/C21H23Cl2N3O/c22-18-9-6-10-19(20(18)23)26-15-13-25(14-16-26)12-5-4-11-24-21(27)17-7-2-1-3-8-17/h1-10H,11-16H2,(H,24,27)/b5-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Agonistic activity of quinpirole stimulation of mitogenesis in human dopamine D3 transfected CHO cells				Bioorg Med Chem Lett 13: 2179-83 (2003) BindingDB Entry DOI: 10.7270/Q21Z43SN
					More data for this Ligand-Target Pair