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BDBM81491 CAS_12454::NSC_12454::trans-Clopenthixol

SMILES: OCCN1CCN(CCC=C2c3ccccc3Sc3ccc(Cl)cc23)CC1

InChI Key: InChIKey=WFPIAZLQTJBIFN-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 81491   
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
DRD2


(BOVINE)
BDBM81491
PNG
(CAS_12454 | NSC_12454 | trans-Clopenthixol)
Show SMILES OCCN1CCN(CCC=C2c3ccccc3Sc3ccc(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
UniProtKB/SwissProt

GoogleScholar
CHEBI
PC cid
PC sid
UniChem

Similars

PubMed
88n/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)
BDBM81491
PNG
(CAS_12454 | NSC_12454 | trans-Clopenthixol)
Show SMILES OCCN1CCN(CCC=C2c3ccccc3Sc3ccc(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
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEBI
PC cid
PC sid
UniChem

Similars

PubMed
>1.00E+4n/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