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BDBM79209 2-[4-[(3Z)-3-(2-chloranylthioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol;hydrochloride::2-[4-[(3Z)-3-(2-chloro-9-thioxanthenylidene)propyl]-1-piperazinyl]ethanol;hydrochloride::2-[4-[(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol;hydrochloride::2-[4-[(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazino]ethanol;hydrochloride::MLS002154089::SMR001233397::Zuclopenthixol hydrochloride::cid_25102584::cis-Clopenthixol

SMILES: OCCN1CCN(CC\C=C2\c3ccccc3Sc3ccc(Cl)cc23)CC1

InChI Key: InChIKey=WFPIAZLQTJBIFN-DVZOWYKESA-N

Data: 2 KI  1 IC50

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 3 hits for monomerid = 79209   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
D(2) dopamine receptor


(BOVINE)
BDBM79209
PNG
(2-[4-[(3Z)-3-(2-chloranylthioxanthen-9-ylidene)pro...)
Show SMILES OCCN1CCN(CC\C=C2\c3ccccc3Sc3ccc(Cl)cc23)CC1
Show InChI InChI=1S/C22H25ClN2OS/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26/h1-2,4-8,16,26H,3,9-15H2/b18-5-
PDB

UniProtKB/SwissProt

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DrugBank
MCE
PC cid
PC sid
UniChem

Similars

PubMed
3.10n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 12: 800-12 (1976)


BindingDB Entry DOI: 10.7270/Q22B8WH6
More data for this
Ligand-Target Pair
DRD1


(BOVINE)
BDBM79209
PNG
(2-[4-[(3Z)-3-(2-chloranylthioxanthen-9-ylidene)pro...)
Show SMILES OCCN1CCN(CC\C=C2\c3ccccc3Sc3ccc(Cl)cc23)CC1
Show InChI InChI=1S/C22H25ClN2OS/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26/h1-2,4-8,16,26H,3,9-15H2/b18-5-
PDB

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KEGG

UniProtKB/SwissProt

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DrugBank
MCE
PC cid
PC sid
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PubMed
480n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 12: 800-12 (1976)


BindingDB Entry DOI: 10.7270/Q22B8WH6
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM79209
PNG
(2-[4-[(3Z)-3-(2-chloranylthioxanthen-9-ylidene)pro...)
Show SMILES OCCN1CCN(CC\C=C2\c3ccccc3Sc3ccc(Cl)cc23)CC1
Show InChI InChI=1S/C22H25ClN2OS/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26/h1-2,4-8,16,26H,3,9-15H2/b18-5-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
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Purchase

DrugBank
MCE
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>2.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair