BDBM50161242 Benzo[b]thiophene-2-carboxylic acid {4-[4-(2,3-dichloro-phenyl)-piperazin-1-yl]-but-2-enyl}-amide::CHEMBL175734
SMILES: Clc1cccc(N2CCN(C\C=C\CNC(=O)c3cc4ccccc4s3)CC2)c1Cl
InChI Key: InChIKey=KKTITOSWJRVWOF-ONEGZZNKSA-N
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 |
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D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50161242 (Benzo[b]thiophene-2-carboxylic acid {4-[4-(2,3-dic...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.10 | 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)) | BDBM50161242 (Benzo[b]thiophene-2-carboxylic acid {4-[4-(2,3-dic...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.10 | 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)) | BDBM50161242 (Benzo[b]thiophene-2-carboxylic acid {4-[4-(2,3-dic...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug AbuseIntramural Research Program Curated by ChEMBL | Assay Description Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells | J Med Chem 52: 2559-70 (2009) Article DOI: 10.1021/jm900095y BindingDB Entry DOI: 10.7270/Q2HX1DKJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50161242 (Benzo[b]thiophene-2-carboxylic acid {4-[4-(2,3-dic...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.30 | 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 [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)) | BDBM50161242 (Benzo[b]thiophene-2-carboxylic acid {4-[4-(2,3-dic...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 149 | 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)) | BDBM50161242 (Benzo[b]thiophene-2-carboxylic acid {4-[4-(2,3-dic...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 149 | 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)) | BDBM50161242 (Benzo[b]thiophene-2-carboxylic acid {4-[4-(2,3-dic...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 245 | 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 | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50161242 (Benzo[b]thiophene-2-carboxylic acid {4-[4-(2,3-dic...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 388 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug AbuseIntramural Research Program Curated by ChEMBL | Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor | J Med Chem 52: 2559-70 (2009) Article DOI: 10.1021/jm900095y BindingDB Entry DOI: 10.7270/Q2HX1DKJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(1A) dopamine receptor (Homo sapiens (Human)) | BDBM50161242 (Benzo[b]thiophene-2-carboxylic acid {4-[4-(2,3-dic...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug AbuseIntramural Research Program Curated by ChEMBL | Assay Description Displacement of [3H]SCH23390 from D1 receptor | J Med Chem 52: 2559-70 (2009) Article DOI: 10.1021/jm900095y BindingDB Entry DOI: 10.7270/Q2HX1DKJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50161242 (Benzo[b]thiophene-2-carboxylic acid {4-[4-(2,3-dic...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.77E+3 | 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(4) dopamine receptor (Homo sapiens (Human)) | BDBM50161242 (Benzo[b]thiophene-2-carboxylic acid {4-[4-(2,3-dic...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.77E+3 | 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 D4 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(4) dopamine receptor (Homo sapiens (Human)) | BDBM50161242 (Benzo[b]thiophene-2-carboxylic acid {4-[4-(2,3-dic...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug AbuseIntramural Research Program Curated by ChEMBL | Assay Description Displacement of [125]IABN from human D4 receptor expressed in HEK293 cells | J Med Chem 52: 2559-70 (2009) Article DOI: 10.1021/jm900095y BindingDB Entry DOI: 10.7270/Q2HX1DKJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50161242 (Benzo[b]thiophene-2-carboxylic acid {4-[4-(2,3-dic...) | 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 | 254 | 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)) | BDBM50161242 (Benzo[b]thiophene-2-carboxylic acid {4-[4-(2,3-dic...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 9.62 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug AbuseIntramural Research Program Curated by ChEMBL | Assay Description Antagonist activity at human D3 receptor expressed in HEK293 cells assessed as inhibition of quinpirole-stimulated mitogenesis | J Med Chem 52: 2559-70 (2009) Article DOI: 10.1021/jm900095y BindingDB Entry DOI: 10.7270/Q2HX1DKJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50161242 (Benzo[b]thiophene-2-carboxylic acid {4-[4-(2,3-dic...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 9.62 | 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 |