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BDBM50310924 CHEMBL1080421::US9120807, 8::{6-Ethylamino-2-[(pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidin-4-yl}-thiophen-2-yl-methanone

SMILES: CCNc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1

InChI Key: InChIKey=GQSJGNQPKLGYJZ-UHFFFAOYSA-N

Data: 6 IC50

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 6 hits for monomerid = 50310924   
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 receptors; A1 & A2a


(Homo sapiens (human))
BDBM50310924
PNG
(CHEMBL1080421 | US9120807, 8 | {6-Ethylamino-2-[(p...)
Show SMILES CCNc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1
Show InChI InChI=1S/C19H17N5OS2/c1-2-21-15-9-13-18(27-15)16(17(25)14-6-4-8-26-14)24-19(23-13)22-11-12-5-3-7-20-10-12/h3-10,21H,2,11H2,1H3,(H,22,23,24)
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US Patent
n/an/a 118n/an/an/an/an/an/a



Vernalis (R&D) Ltd.

US Patent


Assay Description
The use of a Fluorometric Imaging Plate Reader (FLIPR) to measure calcium flux in Adenosine-receptor expressing cells is a well-established technique...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptors; A1 & A2a


(Homo sapiens (human))
BDBM50310924
PNG
(CHEMBL1080421 | US9120807, 8 | {6-Ethylamino-2-[(p...)
Show SMILES CCNc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1
Show InChI InChI=1S/C19H17N5OS2/c1-2-21-15-9-13-18(27-15)16(17(25)14-6-4-8-26-14)24-19(23-13)22-11-12-5-3-7-20-10-12/h3-10,21H,2,11H2,1H3,(H,22,23,24)
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US Patent
n/an/a 726n/an/an/an/an/an/a



Vernalis (R&D) Ltd.

US Patent


Assay Description
The use of a Fluorometric Imaging Plate Reader (FLIPR) to measure calcium flux in Adenosine-receptor expressing cells is a well-established technique...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptors; A1 & A2a


(Homo sapiens (human))
BDBM50310924
PNG
(CHEMBL1080421 | US9120807, 8 | {6-Ethylamino-2-[(p...)
Show SMILES CCNc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1
Show InChI InChI=1S/C19H17N5OS2/c1-2-21-15-9-13-18(27-15)16(17(25)14-6-4-8-26-14)24-19(23-13)22-11-12-5-3-7-20-10-12/h3-10,21H,2,11H2,1H3,(H,22,23,24)
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Article
PubMed
n/an/a 2.49E+3n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human adeosine A2A receptor expressed in CHOK1 cells assessed as inhibition of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 5945-9 (2009)

More data for this
Ligand-Target Pair
Adenosine receptor A3 (A3)


(Homo sapiens (Human))
BDBM50310924
PNG
(CHEMBL1080421 | US9120807, 8 | {6-Ethylamino-2-[(p...)
Show SMILES CCNc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1
Show InChI InChI=1S/C19H17N5OS2/c1-2-21-15-9-13-18(27-15)16(17(25)14-6-4-8-26-14)24-19(23-13)22-11-12-5-3-7-20-10-12/h3-10,21H,2,11H2,1H3,(H,22,23,24)
GoogleScholar
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PC sid
UniChem

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US Patent
n/an/a 37.3n/an/an/an/an/an/a



Vernalis (R&D) Ltd.

US Patent


Assay Description
The use of a Fluorometric Imaging Plate Reader (FLIPR) to measure calcium flux in Adenosine-receptor expressing cells is a well-established technique...


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50310924
PNG
(CHEMBL1080421 | US9120807, 8 | {6-Ethylamino-2-[(p...)
Show SMILES CCNc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1
Show InChI InChI=1S/C19H17N5OS2/c1-2-21-15-9-13-18(27-15)16(17(25)14-6-4-8-26-14)24-19(23-13)22-11-12-5-3-7-20-10-12/h3-10,21H,2,11H2,1H3,(H,22,23,24)
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Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human adeosine A2B receptor expressed in CHOK1 cells assessed as inhibition of calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 19: 5945-9 (2009)

More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50310924
PNG
(CHEMBL1080421 | US9120807, 8 | {6-Ethylamino-2-[(p...)
Show SMILES CCNc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1
Show InChI InChI=1S/C19H17N5OS2/c1-2-21-15-9-13-18(27-15)16(17(25)14-6-4-8-26-14)24-19(23-13)22-11-12-5-3-7-20-10-12/h3-10,21H,2,11H2,1H3,(H,22,23,24)
NCI pathway
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PC sid
UniChem

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US Patent
n/an/a 6.70n/an/an/an/an/an/a



Vernalis (R&D) Ltd.

US Patent


Assay Description
The use of a Fluorometric Imaging Plate Reader (FLIPR) to measure calcium flux in Adenosine-receptor expressing cells is a well-established technique...


Citation and Details
More data for this
Ligand-Target Pair