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BDBM50166735 3-[5-(2-Methyl-imidazol-1-yl)-2-(pyrazin-2-ylamino)-thiazol-4-yl]-benzonitrile::CHEMBL197103

SMILES: Cc1nccn1-c1sc(Nc2cccc(C)n2)nc1-c1cccc(c1)C#N

InChI Key: InChIKey=UOJOKSDSECSZDQ-UHFFFAOYSA-N

Data: 4 KI

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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 = 50166735   
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
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50166735
PNG
(3-[5-(2-Methyl-imidazol-1-yl)-2-(pyrazin-2-ylamino...)
Show SMILES Cc1nccn1-c1sc(Nc2cccc(C)n2)nc1-c1cccc(c1)C#N
Show InChI InChI=1S/C20H16N6S/c1-13-5-3-8-17(23-13)24-20-25-18(16-7-4-6-15(11-16)12-21)19(27-20)26-10-9-22-14(26)2/h3-11H,1-2H3,(H,23,24,25)
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PC sid
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10n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of luciferase production elicited by NECA by compound in CHO cells transfected with human adenosine A2b receptor and a luciferase expressi...


Bioorg Med Chem Lett 15: 3081-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.021
BindingDB Entry DOI: 10.7270/Q2X63NQG
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50166735
PNG
(3-[5-(2-Methyl-imidazol-1-yl)-2-(pyrazin-2-ylamino...)
Show SMILES Cc1nccn1-c1sc(Nc2cccc(C)n2)nc1-c1cccc(c1)C#N
Show InChI InChI=1S/C20H16N6S/c1-13-5-3-8-17(23-13)24-20-25-18(16-7-4-6-15(11-16)12-21)19(27-20)26-10-9-22-14(26)2/h3-11H,1-2H3,(H,23,24,25)
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MMDB

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Article
PubMed
175n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM-241,385 from human adenosine A2a receptors transfected in HEK 293 cells


Bioorg Med Chem Lett 15: 3081-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.021
BindingDB Entry DOI: 10.7270/Q2X63NQG
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50166735
PNG
(3-[5-(2-Methyl-imidazol-1-yl)-2-(pyrazin-2-ylamino...)
Show SMILES Cc1nccn1-c1sc(Nc2cccc(C)n2)nc1-c1cccc(c1)C#N
Show InChI InChI=1S/C20H16N6S/c1-13-5-3-8-17(23-13)24-20-25-18(16-7-4-6-15(11-16)12-21)19(27-20)26-10-9-22-14(26)2/h3-11H,1-2H3,(H,23,24,25)
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224n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptors transfected in CHO cells


Bioorg Med Chem Lett 15: 3081-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.021
BindingDB Entry DOI: 10.7270/Q2X63NQG
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50166735
PNG
(3-[5-(2-Methyl-imidazol-1-yl)-2-(pyrazin-2-ylamino...)
Show SMILES Cc1nccn1-c1sc(Nc2cccc(C)n2)nc1-c1cccc(c1)C#N
Show InChI InChI=1S/C20H16N6S/c1-13-5-3-8-17(23-13)24-20-25-18(16-7-4-6-15(11-16)12-21)19(27-20)26-10-9-22-14(26)2/h3-11H,1-2H3,(H,23,24,25)
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419n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]-AB-MECA from human adenosine A3 receptors transfected in CHO cells


Bioorg Med Chem Lett 15: 3081-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.021
BindingDB Entry DOI: 10.7270/Q2X63NQG
More data for this
Ligand-Target Pair