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BDBM50326288 3-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)ethyl)pyridine::CHEMBL1243366

SMILES: CC(C)(C)c1ccc(SCC(c2cnc[nH]2)c2cccnc2)cc1

InChI Key: InChIKey=YVGCLDBDDBQLIK-UHFFFAOYSA-N

Data: 4 KI  1 EC50

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 5 hits for monomerid = 50326288   
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
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50326288
PNG
(3-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...)
Show SMILES CC(C)(C)c1ccc(SCC(c2cnc[nH]2)c2cccnc2)cc1
Show InChI InChI=1S/C20H23N3S/c1-20(2,3)16-6-8-17(9-7-16)24-13-18(19-12-22-14-23-19)15-5-4-10-21-11-15/h4-12,14,18H,13H2,1-3H3,(H,22,23)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
64n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50326288
PNG
(3-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...)
Show SMILES CC(C)(C)c1ccc(SCC(c2cnc[nH]2)c2cccnc2)cc1
Show InChI InChI=1S/C20H23N3S/c1-20(2,3)16-6-8-17(9-7-16)24-13-18(19-12-22-14-23-19)15-5-4-10-21-11-15/h4-12,14,18H,13H2,1-3H3,(H,22,23)
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PC cid
PC sid
UniChem
Article
PubMed
360n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H4 receptor


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50326288
PNG
(3-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...)
Show SMILES CC(C)(C)c1ccc(SCC(c2cnc[nH]2)c2cccnc2)cc1
Show InChI InChI=1S/C20H23N3S/c1-20(2,3)16-6-8-17(9-7-16)24-13-18(19-12-22-14-23-19)15-5-4-10-21-11-15/h4-12,14,18H,13H2,1-3H3,(H,22,23)
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PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H1 receptor


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50326288
PNG
(3-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...)
Show SMILES CC(C)(C)c1ccc(SCC(c2cnc[nH]2)c2cccnc2)cc1
Show InChI InChI=1S/C20H23N3S/c1-20(2,3)16-6-8-17(9-7-16)24-13-18(19-12-22-14-23-19)15-5-4-10-21-11-15/h4-12,14,18H,13H2,1-3H3,(H,22,23)
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UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H2 receptor


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50326288
PNG
(3-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...)
Show SMILES CC(C)(C)c1ccc(SCC(c2cnc[nH]2)c2cccnc2)cc1
Show InChI InChI=1S/C20H23N3S/c1-20(2,3)16-6-8-17(9-7-16)24-13-18(19-12-22-14-23-19)15-5-4-10-21-11-15/h4-12,14,18H,13H2,1-3H3,(H,22,23)
Reactome pathway
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UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 22n/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding


J Med Chem 53: 6445-56 (2010)


Article DOI: 10.1021/jm100643t
BindingDB Entry DOI: 10.7270/Q2QF8T3X
More data for this
Ligand-Target Pair