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8 similar compounds to monomer 50310932

Wt: 299.3
BDBM50310926
Wt: 313.3
BDBM50310927
Wt: 327.4
BDBM50310928
Wt: 325.3
BDBM50310929
Wt: 367.4
BDBM50310930
Wt: 339.4
BDBM50310931
Wt: 353.4
BDBM50310933
Wt: 353.4
BDBM50310934

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50310926,50310927,50310928,50310929,50310930,50310931,50310933,50310934   
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))
BDBM50310931
PNG
(CHEMBL1078030 | {2-[(Pyridin-3-ylmethyl)-amino]-th...)
Show SMILES O=C(N1CCCC1)c1nc(NCc2cccnc2)nc2ccsc12
Show InChI InChI=1S/C17H17N5OS/c23-16(22-7-1-2-8-22)14-15-13(5-9-24-15)20-17(21-14)19-11-12-4-3-6-18-10-12/h3-6,9-10H,1-2,7-8,11H2,(H,19,20,21)
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PubMed
n/an/a 6.14E+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 receptors; A1 & A2a


(Homo sapiens (human))
BDBM50310927
PNG
(2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimi...)
Show SMILES CCNC(=O)c1nc(NCc2cccnc2)nc2ccsc12
Show InChI InChI=1S/C15H15N5OS/c1-2-17-14(21)12-13-11(5-7-22-13)19-15(20-12)18-9-10-4-3-6-16-8-10/h3-8H,2,9H2,1H3,(H,17,21)(H,18,19,20)
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n/an/a 2.52E+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 receptors; A1 & A2a


(Homo sapiens (human))
BDBM50310934
PNG
((S)-[2-(1-Pyridin-3-yl-ethylamino)-thieno[3,2-d]py...)
Show SMILES C[C@H](Nc1nc(C(=O)N2CCCC2)c2sccc2n1)c1cccnc1
Show InChI InChI=1S/C18H19N5OS/c1-12(13-5-4-7-19-11-13)20-18-21-14-6-10-25-16(14)15(22-18)17(24)23-8-2-3-9-23/h4-7,10-12H,2-3,8-9H2,1H3,(H,20,21,22)/t12-/m0/s1
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n/an/a 468n/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 receptors; A1 & A2a


(Homo sapiens (human))
BDBM50310928
PNG
(2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimi...)
Show SMILES CC(C)NC(=O)c1nc(NCc2cccnc2)nc2ccsc12
Show InChI InChI=1S/C16H17N5OS/c1-10(2)19-15(22)13-14-12(5-7-23-14)20-16(21-13)18-9-11-4-3-6-17-8-11/h3-8,10H,9H2,1-2H3,(H,19,22)(H,18,20,21)
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n/an/a 2.61E+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 receptors; A1 & A2a


(Homo sapiens (human))
BDBM50310929
PNG
(2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimi...)
Show SMILES O=C(NC1CC1)c1nc(NCc2cccnc2)nc2ccsc12
Show InChI InChI=1S/C16H15N5OS/c22-15(19-11-3-4-11)13-14-12(5-7-23-14)20-16(21-13)18-9-10-2-1-6-17-8-10/h1-2,5-8,11H,3-4,9H2,(H,19,22)(H,18,20,21)
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n/an/a 710n/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 receptors; A1 & A2a


(Homo sapiens (human))
BDBM50310930
PNG
(2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimi...)
Show SMILES O=C(NC1CCCCC1)c1nc(NCc2cccnc2)nc2ccsc12
Show InChI InChI=1S/C19H21N5OS/c25-18(22-14-6-2-1-3-7-14)16-17-15(8-10-26-17)23-19(24-16)21-12-13-5-4-9-20-11-13/h4-5,8-11,14H,1-3,6-7,12H2,(H,22,25)(H,21,23,24)
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n/an/a 3.09E+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 A2b


(Homo sapiens (Human))
BDBM50310926
PNG
(2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimi...)
Show SMILES CNC(=O)c1nc(NCc2cccnc2)nc2ccsc12
Show InChI InChI=1S/C14H13N5OS/c1-15-13(20)11-12-10(4-6-21-12)18-14(19-11)17-8-9-3-2-5-16-7-9/h2-7H,8H2,1H3,(H,15,20)(H,17,18,19)
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n/an/a 495n/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))
BDBM50310927
PNG
(2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimi...)
Show SMILES CCNC(=O)c1nc(NCc2cccnc2)nc2ccsc12
Show InChI InChI=1S/C15H15N5OS/c1-2-17-14(21)12-13-11(5-7-22-13)19-15(20-12)18-9-10-4-3-6-16-8-10/h3-8H,2,9H2,1H3,(H,17,21)(H,18,19,20)
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n/an/a 120n/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))
BDBM50310928
PNG
(2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimi...)
Show SMILES CC(C)NC(=O)c1nc(NCc2cccnc2)nc2ccsc12
Show InChI InChI=1S/C16H17N5OS/c1-10(2)19-15(22)13-14-12(5-7-23-14)20-16(21-13)18-9-11-4-3-6-17-8-11/h3-8,10H,9H2,1-2H3,(H,19,22)(H,18,20,21)
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n/an/a 309n/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))
BDBM50310929
PNG
(2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimi...)
Show SMILES O=C(NC1CC1)c1nc(NCc2cccnc2)nc2ccsc12
Show InChI InChI=1S/C16H15N5OS/c22-15(19-11-3-4-11)13-14-12(5-7-23-14)20-16(21-13)18-9-10-2-1-6-17-8-10/h1-2,5-8,11H,3-4,9H2,(H,19,22)(H,18,20,21)
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n/an/a 256n/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))
BDBM50310930
PNG
(2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimi...)
Show SMILES O=C(NC1CCCCC1)c1nc(NCc2cccnc2)nc2ccsc12
Show InChI InChI=1S/C19H21N5OS/c25-18(22-14-6-2-1-3-7-14)16-17-15(8-10-26-17)23-19(24-16)21-12-13-5-4-9-20-11-13/h4-5,8-11,14H,1-3,6-7,12H2,(H,22,25)(H,21,23,24)
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n/an/a 571n/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))
BDBM50310931
PNG
(CHEMBL1078030 | {2-[(Pyridin-3-ylmethyl)-amino]-th...)
Show SMILES O=C(N1CCCC1)c1nc(NCc2cccnc2)nc2ccsc12
Show InChI InChI=1S/C17H17N5OS/c23-16(22-7-1-2-8-22)14-15-13(5-9-24-15)20-17(21-14)19-11-12-4-3-6-18-10-12/h3-6,9-10H,1-2,7-8,11H2,(H,19,20,21)
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n/an/a 189n/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))
BDBM50310933
PNG
((R)-[2-(1-Pyridin-3-yl-ethylamino)-thieno[3,2-d]py...)
Show SMILES C[C@@H](Nc1nc(C(=O)N2CCCC2)c2sccc2n1)c1cccnc1
Show InChI InChI=1S/C18H19N5OS/c1-12(13-5-4-7-19-11-13)20-18-21-14-6-10-25-16(14)15(22-18)17(24)23-8-2-3-9-23/h4-7,10-12H,2-3,8-9H2,1H3,(H,20,21,22)/t12-/m1/s1
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n/an/a 3.07E+3n/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))
BDBM50310934
PNG
((S)-[2-(1-Pyridin-3-yl-ethylamino)-thieno[3,2-d]py...)
Show SMILES C[C@H](Nc1nc(C(=O)N2CCCC2)c2sccc2n1)c1cccnc1
Show InChI InChI=1S/C18H19N5OS/c1-12(13-5-4-7-19-11-13)20-18-21-14-6-10-25-16(14)15(22-18)17(24)23-8-2-3-9-23/h4-7,10-12H,2-3,8-9H2,1H3,(H,20,21,22)/t12-/m0/s1
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n/an/a 18n/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 receptors; A1 & A2a


(Homo sapiens (human))
BDBM50310926
PNG
(2-[(Pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimi...)
Show SMILES CNC(=O)c1nc(NCc2cccnc2)nc2ccsc12
Show InChI InChI=1S/C14H13N5OS/c1-15-13(20)11-12-10(4-6-21-12)18-14(19-11)17-8-9-3-2-5-16-7-9/h2-7H,8H2,1H3,(H,15,20)(H,17,18,19)
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n/an/a 7.11E+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 receptors; A1 & A2a


(Homo sapiens (human))
BDBM50310933
PNG
((R)-[2-(1-Pyridin-3-yl-ethylamino)-thieno[3,2-d]py...)
Show SMILES C[C@@H](Nc1nc(C(=O)N2CCCC2)c2sccc2n1)c1cccnc1
Show InChI InChI=1S/C18H19N5OS/c1-12(13-5-4-7-19-11-13)20-18-21-14-6-10-25-16(14)15(22-18)17(24)23-8-2-3-9-23/h4-7,10-12H,2-3,8-9H2,1H3,(H,20,21,22)/t12-/m1/s1
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n/an/a 6.76E+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