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SMILES: OC(=O)C(F)(F)F.OC1(CCN(CCCC(=O)c2cn(CCSSCCN=[N+]=[N-])nn2)CC1)c1ccc(Cl)cc1

InChI Key: InChIKey=LGRJUDYDLTXAOB-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50260289   
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


(Homo sapiens (Human))
BDBM50260289
PNG
(CHEMBL4100263)
Show SMILES OC(=O)C(F)(F)F.OC1(CCN(CCCC(=O)c2cn(CCSSCCN=[N+]=[N-])nn2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H28ClN7O2S2/c22-18-5-3-17(4-6-18)21(31)7-11-28(12-8-21)10-1-2-20(30)19-16-29(27-25-19)13-15-33-32-14-9-24-26-23/h3-6,16,31H,1-2,7-15H2
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140n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2long receptor expressed in CHO cell membranes by radioligand binding assay


Bioorg Med Chem 25: 5084-5094 (2017)


Article DOI: 10.1016/j.bmc.2017.06.034
BindingDB Entry DOI: 10.7270/Q2222X70
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50260289
PNG
(CHEMBL4100263)
Show SMILES OC(=O)C(F)(F)F.OC1(CCN(CCCC(=O)c2cn(CCSSCCN=[N+]=[N-])nn2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H28ClN7O2S2/c22-18-5-3-17(4-6-18)21(31)7-11-28(12-8-21)10-1-2-20(30)19-16-29(27-25-19)13-15-33-32-14-9-24-26-23/h3-6,16,31H,1-2,7-15H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
210n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D3 receptor expressed in CHO cell membranes by radioligand binding assay


Bioorg Med Chem 25: 5084-5094 (2017)


Article DOI: 10.1016/j.bmc.2017.06.034
BindingDB Entry DOI: 10.7270/Q2222X70
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50260289
PNG
(CHEMBL4100263)
Show SMILES OC(=O)C(F)(F)F.OC1(CCN(CCCC(=O)c2cn(CCSSCCN=[N+]=[N-])nn2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H28ClN7O2S2/c22-18-5-3-17(4-6-18)21(31)7-11-28(12-8-21)10-1-2-20(30)19-16-29(27-25-19)13-15-33-32-14-9-24-26-23/h3-6,16,31H,1-2,7-15H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
260n/an/an/an/an/an/an/an/a



Friedrich-Alexander University Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2long receptor expressed in CHO cell membranes by radioligand binding assay


Bioorg Med Chem 25: 5084-5094 (2017)


Article DOI: 10.1016/j.bmc.2017.06.034
BindingDB Entry DOI: 10.7270/Q2222X70
More data for this
Ligand-Target Pair