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SMILES: CN(C)CCSc1nc(cs1)C(C)(C)C

InChI Key: InChIKey=OSPHUVJGYFZGRF-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50139352   
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
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50139352
PNG
(CHEMBL161203 | [2-(4-tert-Butyl-thiazol-2-ylsulfan...)
Show SMILES CN(C)CCSc1nc(cs1)C(C)(C)C
Show InChI InChI=1S/C11H20N2S2/c1-11(2,3)9-8-15-10(12-9)14-7-6-13(4)5/h8H,6-7H2,1-5H3
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PC cid
PC sid
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22n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor by the displacement of [3H]-5-HT radioligand from the cloned receptor expressed in CHO ...


Bioorg Med Chem Lett 14: 677-80 (2004)


BindingDB Entry DOI: 10.7270/Q2CJ8CWS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50139352
PNG
(CHEMBL161203 | [2-(4-tert-Butyl-thiazol-2-ylsulfan...)
Show SMILES CN(C)CCSc1nc(cs1)C(C)(C)C
Show InChI InChI=1S/C11H20N2S2/c1-11(2,3)9-8-15-10(12-9)14-7-6-13(4)5/h8H,6-7H2,1-5H3
PDB

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PC sid
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>1.00E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine receptor D2 by the displacement of [3H]-Spiperone radioligand from the cloned receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 677-80 (2004)


BindingDB Entry DOI: 10.7270/Q2CJ8CWS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50139352
PNG
(CHEMBL161203 | [2-(4-tert-Butyl-thiazol-2-ylsulfan...)
Show SMILES CN(C)CCSc1nc(cs1)C(C)(C)C
Show InChI InChI=1S/C11H20N2S2/c1-11(2,3)9-8-15-10(12-9)14-7-6-13(4)5/h8H,6-7H2,1-5H3
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
1.20E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 2A receptor by the displacement of [3H]-Ketanserin radioligand from the cloned receptor expressed ...


Bioorg Med Chem Lett 14: 677-80 (2004)


BindingDB Entry DOI: 10.7270/Q2CJ8CWS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50139352
PNG
(CHEMBL161203 | [2-(4-tert-Butyl-thiazol-2-ylsulfan...)
Show SMILES CN(C)CCSc1nc(cs1)C(C)(C)C
Show InChI InChI=1S/C11H20N2S2/c1-11(2,3)9-8-15-10(12-9)14-7-6-13(4)5/h8H,6-7H2,1-5H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.20E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1A receptor by the displacement of [3H]-5-HT radioligand from the cloned receptor expressed in HeL...


Bioorg Med Chem Lett 14: 677-80 (2004)


BindingDB Entry DOI: 10.7270/Q2CJ8CWS
More data for this
Ligand-Target Pair