BDBM50161227 CHEMBL370713::N-{4-[4-(2,3-Dichloro-phenyl)-piperazin-1-yl]-but-2-enyl}-4-methoxy-benzamide

SMILES: COc1ccc(cc1)C(=O)NC\C=C\CN1CCN(CC1)c1cccc(Cl)c1Cl

InChI Key: InChIKey=KQBYIQCEQDXZFW-NSCUHMNNSA-N

Data: 6 KI  2 IC50  2 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 10 hits for monomerid = 50161227   

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))	BDBM50161227 (CHEMBL370713 | N-{4-[4-(2,3-Dichloro-phenyl)-piper...) Show SMILES COc1ccc(cc1)C(=O)NC\C=C\CN1CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C22H25Cl2N3O2/c1-29-18-9-7-17(8-10-18)22(28)25-11-2-3-12-26-13-15-27(16-14-26)20-6-4-5-19(23)21(20)24/h2-10H,11-16H2,1H3,(H,25,28)/b3-2+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	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 (Homo sapiens (Human))	BDBM50161227 (CHEMBL370713 | N-{4-[4-(2,3-Dichloro-phenyl)-piper...) Show SMILES COc1ccc(cc1)C(=O)NC\C=C\CN1CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C22H25Cl2N3O2/c1-29-18-9-7-17(8-10-18)22(28)25-11-2-3-12-26-13-15-27(16-14-26)20-6-4-5-19(23)21(20)24/h2-10H,11-16H2,1H3,(H,25,28)/b3-2+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	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))	BDBM50161227 (CHEMBL370713 | N-{4-[4-(2,3-Dichloro-phenyl)-piper...) Show SMILES COc1ccc(cc1)C(=O)NC\C=C\CN1CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C22H25Cl2N3O2/c1-29-18-9-7-17(8-10-18)22(28)25-11-2-3-12-26-13-15-27(16-14-26)20-6-4-5-19(23)21(20)24/h2-10H,11-16H2,1H3,(H,25,28)/b3-2+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	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))	BDBM50161227 (CHEMBL370713 | N-{4-[4-(2,3-Dichloro-phenyl)-piper...) Show SMILES COc1ccc(cc1)C(=O)NC\C=C\CN1CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C22H25Cl2N3O2/c1-29-18-9-7-17(8-10-18)22(28)25-11-2-3-12-26-13-15-27(16-14-26)20-6-4-5-19(23)21(20)24/h2-10H,11-16H2,1H3,(H,25,28)/b3-2+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30.4	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 [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))	BDBM50161227 (CHEMBL370713 | N-{4-[4-(2,3-Dichloro-phenyl)-piper...) Show SMILES COc1ccc(cc1)C(=O)NC\C=C\CN1CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C22H25Cl2N3O2/c1-29-18-9-7-17(8-10-18)22(28)25-11-2-3-12-26-13-15-27(16-14-26)20-6-4-5-19(23)21(20)24/h2-10H,11-16H2,1H3,(H,25,28)/b3-2+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30.4	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 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(2) dopamine receptor (Homo sapiens (Human))	BDBM50161227 (CHEMBL370713 | N-{4-[4-(2,3-Dichloro-phenyl)-piper...) Show SMILES COc1ccc(cc1)C(=O)NC\C=C\CN1CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C22H25Cl2N3O2/c1-29-18-9-7-17(8-10-18)22(28)25-11-2-3-12-26-13-15-27(16-14-26)20-6-4-5-19(23)21(20)24/h2-10H,11-16H2,1H3,(H,25,28)/b3-2+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	96.5	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 (Homo sapiens (Human))	BDBM50161227 (CHEMBL370713 | N-{4-[4-(2,3-Dichloro-phenyl)-piper...) Show SMILES COc1ccc(cc1)C(=O)NC\C=C\CN1CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C22H25Cl2N3O2/c1-29-18-9-7-17(8-10-18)22(28)25-11-2-3-12-26-13-15-27(16-14-26)20-6-4-5-19(23)21(20)24/h2-10H,11-16H2,1H3,(H,25,28)/b3-2+	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	61.8	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(2) dopamine receptor (Homo sapiens (Human))	BDBM50161227 (CHEMBL370713 | N-{4-[4-(2,3-Dichloro-phenyl)-piper...) Show SMILES COc1ccc(cc1)C(=O)NC\C=C\CN1CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C22H25Cl2N3O2/c1-29-18-9-7-17(8-10-18)22(28)25-11-2-3-12-26-13-15-27(16-14-26)20-6-4-5-19(23)21(20)24/h2-10H,11-16H2,1H3,(H,25,28)/b3-2+	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	n/a	n/a	61.8	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Inhibition of quinpirole stimulation of mitogenesis at human dopamine D2 receptors expressed in Chinese hamster ovary cells				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))	BDBM50161227 (CHEMBL370713 | N-{4-[4-(2,3-Dichloro-phenyl)-piper...) Show SMILES COc1ccc(cc1)C(=O)NC\C=C\CN1CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C22H25Cl2N3O2/c1-29-18-9-7-17(8-10-18)22(28)25-11-2-3-12-26-13-15-27(16-14-26)20-6-4-5-19(23)21(20)24/h2-10H,11-16H2,1H3,(H,25,28)/b3-2+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.79	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Inhibition of quinpirole stimulation of mitogenesis at human dopamine D3 receptors expressed in Chinese hamster ovary cells				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))	BDBM50161227 (CHEMBL370713 | N-{4-[4-(2,3-Dichloro-phenyl)-piper...) Show SMILES COc1ccc(cc1)C(=O)NC\C=C\CN1CCN(CC1)c1cccc(Cl)c1Cl Show InChI InChI=1S/C22H25Cl2N3O2/c1-29-18-9-7-17(8-10-18)22(28)25-11-2-3-12-26-13-15-27(16-14-26)20-6-4-5-19(23)21(20)24/h2-10H,11-16H2,1H3,(H,25,28)/b3-2+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.79	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