BDBM50240514 (3Z)-3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine::(Z)-2-Chloro-9-(omega-dimethylaminopropylidene)thioxanthene::(Z)-chlorprothixene::CHEMBL908::CHLORPROTHIXENE::cis-2-Chloro-9-(3-dimethylaminopropylidene)thioxanthene
SMILES: CN(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12
InChI Key: InChIKey=WSPOMRSOLSGNFJ-AUWJEWJLSA-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(2) dopamine receptor (Homo sapiens (Human)) | BDBM50240514 ((3Z)-3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dim...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 2.96 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johann Wolfgang Goethe Universit£t Curated by ChEMBL | Assay Description Displacement of [3H]spiperone from human dopamine D2 receptor expressed in CHO cells | Bioorg Med Chem Lett 19: 538-42 (2008) Article DOI: 10.1016/j.bmcl.2008.09.012 BindingDB Entry DOI: 10.7270/Q25H7H6W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 6 (Homo sapiens (Human)) | BDBM50240514 ((3Z)-3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dim...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University Curated by ChEMBL | Assay Description Binding affinity towards human 5-hydroxytryptamine 6 receptor | J Med Chem 46: 2795-812 (2003) Article DOI: 10.1021/jm030030n BindingDB Entry DOI: 10.7270/Q2M0465F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H1 receptor (Homo sapiens (Human)) | BDBM50240514 ((3Z)-3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dim...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 3.75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johann Wolfgang Goethe Universit£t Curated by ChEMBL | Assay Description Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO cells | Bioorg Med Chem Lett 19: 538-42 (2008) Article DOI: 10.1016/j.bmcl.2008.09.012 BindingDB Entry DOI: 10.7270/Q25H7H6W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50240514 ((3Z)-3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dim...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 4.56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johann Wolfgang Goethe Universit£t Curated by ChEMBL | Assay Description Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells | Bioorg Med Chem Lett 19: 538-42 (2008) Article DOI: 10.1016/j.bmcl.2008.09.012 BindingDB Entry DOI: 10.7270/Q25H7H6W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serotonin (5-HT) receptor (Rattus norvegicus (rat)) | BDBM50240514 ((3Z)-3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dim...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University Curated by ChEMBL | Assay Description Binding affinity towards rat 5-hydroxytryptamine 7 receptor | J Med Chem 46: 2795-812 (2003) Article DOI: 10.1021/jm030030n BindingDB Entry DOI: 10.7270/Q2M0465F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(1B) dopamine receptor (Homo sapiens (Human)) | BDBM50240514 ((3Z)-3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dim...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johann Wolfgang Goethe Universit£t Curated by ChEMBL | Assay Description Displacement of [3H]SCH23390 from human dopamine D5 receptor expressed in HEK cells | Bioorg Med Chem Lett 19: 538-42 (2008) Article DOI: 10.1016/j.bmcl.2008.09.012 BindingDB Entry DOI: 10.7270/Q25H7H6W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(1A) dopamine receptor (Homo sapiens (Human)) | BDBM50240514 ((3Z)-3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dim...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johann Wolfgang Goethe Universit£t Curated by ChEMBL | Assay Description Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK cells | Bioorg Med Chem Lett 19: 538-42 (2008) Article DOI: 10.1016/j.bmcl.2008.09.012 BindingDB Entry DOI: 10.7270/Q25H7H6W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H3 receptor (Homo sapiens (Human)) | BDBM50240514 ((3Z)-3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dim...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johann Wolfgang Goethe Universit£t Curated by ChEMBL | Assay Description Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in CHO/HEK293 cells | Bioorg Med Chem Lett 19: 538-42 (2008) Article DOI: 10.1016/j.bmcl.2008.09.012 BindingDB Entry DOI: 10.7270/Q25H7H6W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic Alpha (Homo sapiens (Human)) | BDBM50240514 ((3Z)-3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dim...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 7.78E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy | J Med Chem 51: 5932-42 (2008) Article DOI: 10.1021/jm8003152 BindingDB Entry DOI: 10.7270/Q23779MD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium channel protein type I I alpha subunit (Homo sapiens (Human)) | BDBM50240514 ((3Z)-3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dim...) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea... | J Med Chem 28: 381-8 (1985) BindingDB Entry DOI: 10.7270/Q2Z321T8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H1 receptor (RAT) | BDBM50240514 ((3Z)-3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dim...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.07 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford Curated by ChEMBL | Assay Description Displacement of [3H]mepyramine from histamine H1 receptor in Sprague-Dawley rat brain membrane after 2 hr by scintillation counting | J Med Chem 55: 7054-60 (2012) Article DOI: 10.1021/jm300671m BindingDB Entry DOI: 10.7270/Q2FN17BZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H1 receptor (Homo sapiens (Human)) | BDBM50240514 ((3Z)-3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dim...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 871 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford Curated by ChEMBL | Assay Description Antagonist activity at H1 receptor in human HeLa cells assessed as inhibition of histamine-induced Ca2+ release by using fura-2AM-based fluorescence ... | J Med Chem 55: 7054-60 (2012) Article DOI: 10.1021/jm300671m BindingDB Entry DOI: 10.7270/Q2FN17BZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H1 receptor (Homo sapiens (Human)) | BDBM50240514 ((3Z)-3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dim...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford Curated by ChEMBL | Assay Description Antagonist activity at H1 receptor in human HeLa cells assessed as inhibition of histamine-induced Ca2+ release by using fura-2AM-based fluorescence ... | J Med Chem 55: 7054-60 (2012) Article DOI: 10.1021/jm300671m BindingDB Entry DOI: 10.7270/Q2FN17BZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pleiotropic ABC efflux transporter of multiple drugs (Saccharomyces cerevisiae S288c) | BDBM50240514 ((3Z)-3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dim...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wroclaw Medical University Curated by ChEMBL | Assay Description Inhibition of Pdr5p-mediated rhodamine 6G transport in Saccharomyces cerevisiae MKPDR5h plasma membrane by spectrofluorometric assay | Antimicrob Agents Chemother 53: 1516-27 (2009) Article DOI: 10.1128/AAC.00956-08 BindingDB Entry DOI: 10.7270/Q2125TNZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50240514 ((3Z)-3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dim...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.75E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-... | Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M | |||||||||||
More data for this Ligand-Target Pair |