BindingDB PrimarySearch

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

Data: 8 KI 7 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50240514
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50240514 ((3Z)-3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dim...) Show SMILES CN(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12 Show InChI	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
Johann Wolfgang Goethe Universit£t Curated by ChEMBL					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...) Show SMILES CN(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12 Show InChI	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
Virginia Commonwealth University Curated by ChEMBL					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...) Show SMILES CN(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12 Show InChI	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
Johann Wolfgang Goethe Universit£t Curated by ChEMBL					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...) Show SMILES CN(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12 Show InChI	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
Johann Wolfgang Goethe Universit£t Curated by ChEMBL					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...) Show SMILES CN(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12 Show InChI	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
Virginia Commonwealth University Curated by ChEMBL					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...) Show SMILES CN(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12 Show InChI	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
Johann Wolfgang Goethe Universit£t Curated by ChEMBL					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...) Show SMILES CN(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12 Show InChI	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
Johann Wolfgang Goethe Universit£t Curated by ChEMBL					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...) Show SMILES CN(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12 Show InChI	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
Johann Wolfgang Goethe Universit£t Curated by ChEMBL					More data for this Ligand-Target Pair
Adrenergic Alpha (Homo sapiens (Human))	BDBM50240514 ((3Z)-3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dim...) Show SMILES CN(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12 Show InChI	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
Uppsala University Curated by ChEMBL					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...) Show SMILES CN(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12 Show InChI	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
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Histamine H1 receptor (RAT)	BDBM50240514 ((3Z)-3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dim...) Show SMILES CN(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12 Show InChI	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
University of Oxford Curated by ChEMBL					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...) Show SMILES CN(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12 Show InChI	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
University of Oxford Curated by ChEMBL					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...) Show SMILES CN(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12 Show InChI	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
University of Oxford Curated by ChEMBL					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...) Show SMILES CN(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12 Show InChI	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
Wroclaw Medical University Curated by ChEMBL					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...) Show SMILES CN(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12 Show InChI	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
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair