BDBM50119386 Benzo[b]thiophene-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide::CHEMBL424294::N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzo[b]thiophene-2-carboxamide
SMILES: COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3s2)CC1
InChI Key: InChIKey=KFMBPIZMZUDONQ-UHFFFAOYSA-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)) | BDBM50119386 (Benzo[b]thiophene-2-carboxylic acid {4-[4-(2-metho...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | 0.190 | 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)) | BDBM50119386 (Benzo[b]thiophene-2-carboxylic acid {4-[4-(2-metho...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Bari Curated by ChEMBL | Assay Description Displacement of [3H]spiroperidol from human cloned dopamine D3 receptor by liquid scintillation counting | Bioorg Med Chem 17: 758-66 (2009) Article DOI: 10.1016/j.bmc.2008.11.044 BindingDB Entry DOI: 10.7270/Q2WH2PV3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50119386 (Benzo[b]thiophene-2-carboxylic acid {4-[4-(2-metho...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | PubMed | 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Friedrich-Alexander University Curated by ChEMBL | Assay Description Binding affinity for human Dopamine receptor D3 by [3H]- spiperone displacement. | J Med Chem 45: 4594-7 (2002) BindingDB Entry DOI: 10.7270/Q2DR2W7K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50119386 (Benzo[b]thiophene-2-carboxylic acid {4-[4-(2-metho...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Friedrich Alexander University Curated by ChEMBL | Assay Description Displacement of [3H]Spiperone from human dopamine D3 receptor expressed in CHO cells | J Med Chem 53: 7219-28 (2010) Article DOI: 10.1021/jm100899z BindingDB Entry DOI: 10.7270/Q27W6CDZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(4) dopamine receptor (Homo sapiens (Human)) | BDBM50119386 (Benzo[b]thiophene-2-carboxylic acid {4-[4-(2-metho...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | PubMed | 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Friedrich-Alexander University Curated by ChEMBL | Assay Description Binding affinity for human Dopamine receptor D4 by [3H]- spiperone displacement. | J Med Chem 45: 4594-7 (2002) BindingDB Entry DOI: 10.7270/Q2DR2W7K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50119386 (Benzo[b]thiophene-2-carboxylic acid {4-[4-(2-metho...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | PubMed | 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Friedrich-Alexander University Curated by ChEMBL | Assay Description Displacement of [3H]spiperone from human dopamine D2L receptor expressed in CHO cell membranes by radioligand competition binding assay | Bioorg Med Chem 23: 6195-209 (2015) BindingDB Entry DOI: 10.7270/Q2WW7KGM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50119386 (Benzo[b]thiophene-2-carboxylic acid {4-[4-(2-metho...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | PubMed | 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Friedrich-Alexander University Curated by ChEMBL | Assay Description Displacement of [3H]- 8-OH-DPAT from porcine 5-hydroxytryptamine 1A receptor | J Med Chem 45: 4594-7 (2002) BindingDB Entry DOI: 10.7270/Q2DR2W7K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50119386 (Benzo[b]thiophene-2-carboxylic acid {4-[4-(2-metho...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | PubMed | 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Friedrich-Alexander University Curated by ChEMBL | Assay Description Binding affinity for human Dopamine receptor D2 (short) by [3H]- spiperone displacement. | J Med Chem 45: 4594-7 (2002) BindingDB Entry DOI: 10.7270/Q2DR2W7K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50119386 (Benzo[b]thiophene-2-carboxylic acid {4-[4-(2-metho...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | 72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Friedrich Alexander University Curated by ChEMBL | Assay Description Displacement of [3H]Spiperone from human dopamine D2 short receptor expressed in CHO cells | J Med Chem 53: 7219-28 (2010) Article DOI: 10.1021/jm100899z BindingDB Entry DOI: 10.7270/Q27W6CDZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50119386 (Benzo[b]thiophene-2-carboxylic acid {4-[4-(2-metho...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | PubMed | 87 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Friedrich-Alexander University Curated by ChEMBL | Assay Description Binding affinity for human Dopamine receptor D2 (long) by [3H]- spiperone displacement. | J Med Chem 45: 4594-7 (2002) BindingDB Entry DOI: 10.7270/Q2DR2W7K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50119386 (Benzo[b]thiophene-2-carboxylic acid {4-[4-(2-metho...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | 95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Friedrich Alexander University Curated by ChEMBL | Assay Description Displacement of [3H]Spiperone from human dopamine D2 long receptor expressed in CHO cells | J Med Chem 53: 7219-28 (2010) Article DOI: 10.1021/jm100899z BindingDB Entry DOI: 10.7270/Q27W6CDZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2A (Homo sapiens (Human)) | BDBM50119386 (Benzo[b]thiophene-2-carboxylic acid {4-[4-(2-metho...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | PubMed | 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Friedrich-Alexander University Curated by ChEMBL | Assay Description Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in HEK293 cell membranes by radioligand competition binding assay | Bioorg Med Chem 23: 6195-209 (2015) BindingDB Entry DOI: 10.7270/Q2WW7KGM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(4) dopamine receptor (Homo sapiens (Human)) | BDBM50119386 (Benzo[b]thiophene-2-carboxylic acid {4-[4-(2-metho...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | 305 | 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 | |||||||||||||
5-HT2 (PIG) | BDBM50119386 (Benzo[b]thiophene-2-carboxylic acid {4-[4-(2-metho...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | 350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Friedrich Alexander University Curated by ChEMBL | Assay Description Displacement of [3H]Ketanserin from 5-HT2 receptor in pig cortex membranes | J Med Chem 53: 7219-28 (2010) Article DOI: 10.1021/jm100899z BindingDB Entry DOI: 10.7270/Q27W6CDZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(1A) dopamine receptor (Homo sapiens (Human)) | BDBM50119386 (Benzo[b]thiophene-2-carboxylic acid {4-[4-(2-metho...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | PubMed | 670 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Friedrich-Alexander University Curated by ChEMBL | Assay Description Binding affinity for porcine Dopamine receptor D1 by [3H]-SCH- 23390 displacement. | J Med Chem 45: 4594-7 (2002) BindingDB Entry DOI: 10.7270/Q2DR2W7K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(1A) dopamine receptor (Homo sapiens (Human)) | BDBM50119386 (Benzo[b]thiophene-2-carboxylic acid {4-[4-(2-metho...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | 800 | 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 | |||||||||||||
Dopamine D1 receptor (Sus scrofa) | BDBM50119386 (Benzo[b]thiophene-2-carboxylic acid {4-[4-(2-metho...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | 820 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Friedrich Alexander University Curated by ChEMBL | Assay Description Displacement of [3H]SCH23390 from dopamine D1 receptor in pig striatal membranes | J Med Chem 53: 7219-28 (2010) Article DOI: 10.1021/jm100899z BindingDB Entry DOI: 10.7270/Q27W6CDZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50119386 (Benzo[b]thiophene-2-carboxylic acid {4-[4-(2-metho...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.220 | 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)) | BDBM50119386 (Benzo[b]thiophene-2-carboxylic acid {4-[4-(2-metho...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 0.360 | n/a | n/a | n/a | n/a |
Friedrich-Alexander University Curated by ChEMBL | Assay Description Intrinsic activity in mitogenesis assay using Dopamine receptor D3 expressing CHO cells | J Med Chem 45: 4594-7 (2002) BindingDB Entry DOI: 10.7270/Q2DR2W7K | |||||||||||
More data for this Ligand-Target Pair |