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Compile Data Set for Download or QSAR

Found 492 hits with Last Name = 'shinkre' and Initial = 'ba'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50094037
PNG
(2-Furan-2-yl-7-[3-(4-methoxy-phenyl)-propyl]-7H-py...)
Show SMILES COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C20H19N7O2/c1-28-14-8-6-13(7-9-14)4-2-10-26-18-15(12-22-26)19-23-17(16-5-3-11-29-16)25-27(19)20(21)24-18/h3,5-9,11-12H,2,4,10H2,1H3,(H2,21,24)
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4.10n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells at 10 uM


Bioorg Med Chem Lett 20: 5690-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.021
BindingDB Entry DOI: 10.7270/Q2902418
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50327465
PNG
(7-(3-(4-(allyloxy)phenyl)propyl)-2-(furan-2-yl)-7H...)
Show SMILES Nc1nc2n(CCCc3ccc(OCC=C)cc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C22H21N7O2/c1-2-12-30-16-9-7-15(8-10-16)5-3-11-28-20-17(14-24-28)21-25-19(18-6-4-13-31-18)27-29(21)22(23)26-20/h2,4,6-10,13-14H,1,3,5,11-12H2,(H2,23,26)
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9n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells at 10 uM


Bioorg Med Chem Lett 20: 5690-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.021
BindingDB Entry DOI: 10.7270/Q2902418
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50327462
PNG
(2-(furan-2-yl)-7-(3-(4-propoxyphenyl)propyl)-7H-py...)
Show SMILES CCCOc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C22H23N7O2/c1-2-12-30-16-9-7-15(8-10-16)5-3-11-28-20-17(14-24-28)21-25-19(18-6-4-13-31-18)27-29(21)22(23)26-20/h4,6-10,13-14H,2-3,5,11-12H2,1H3,(H2,23,26)
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11.7n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells at 10 uM


Bioorg Med Chem Lett 20: 5690-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.021
BindingDB Entry DOI: 10.7270/Q2902418
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50327461
PNG
(7-(3-(4-(2-fluoroethoxy)phenyl)propyl)-2-(furan-2-...)
Show SMILES Nc1nc2n(CCCc3ccc(OCCF)cc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C21H20FN7O2/c22-9-12-30-15-7-5-14(6-8-15)3-1-10-28-19-16(13-24-28)20-25-18(17-4-2-11-31-17)27-29(20)21(23)26-19/h2,4-8,11,13H,1,3,9-10,12H2,(H2,23,26)
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12.4n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells at 10 uM


Bioorg Med Chem Lett 20: 5690-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.021
BindingDB Entry DOI: 10.7270/Q2902418
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50327463
PNG
(2-(furan-2-yl)-7-(3-(4-isopropoxyphenyl)propyl)-7H...)
Show SMILES CC(C)Oc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C22H23N7O2/c1-14(2)31-16-9-7-15(8-10-16)5-3-11-28-20-17(13-24-28)21-25-19(18-6-4-12-30-18)27-29(21)22(23)26-20/h4,6-10,12-14H,3,5,11H2,1-2H3,(H2,23,26)
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13.3n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells at 10 uM


Bioorg Med Chem Lett 20: 5690-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.021
BindingDB Entry DOI: 10.7270/Q2902418
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50327466
PNG
(7-(3-(4-(but-3-en-1-yloxy)phenyl)propyl)-2-(furan-...)
Show SMILES Nc1nc2n(CCCc3ccc(OCCC=C)cc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C23H23N7O2/c1-2-3-13-31-17-10-8-16(9-11-17)6-4-12-29-21-18(15-25-29)22-26-20(19-7-5-14-32-19)28-30(22)23(24)27-21/h2,5,7-11,14-15H,1,3-4,6,12-13H2,(H2,24,27)
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14.4n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells at 10 uM


Bioorg Med Chem Lett 20: 5690-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.021
BindingDB Entry DOI: 10.7270/Q2902418
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50327464
PNG
(7-(3-(4-(sec-butoxy)phenyl)propyl)-2-(furan-2-yl)-...)
Show SMILES CCC(C)Oc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C23H25N7O2/c1-3-15(2)32-17-10-8-16(9-11-17)6-4-12-29-21-18(14-25-29)22-26-20(19-7-5-13-31-19)28-30(22)23(24)27-21/h5,7-11,13-15H,3-4,6,12H2,1-2H3,(H2,24,27)
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22.1n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells at 10 uM


Bioorg Med Chem Lett 20: 5690-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.021
BindingDB Entry DOI: 10.7270/Q2902418
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50327469
PNG
(2-(4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e]...)
Show SMILES Nc1nc2n(CCCc3ccc(OCCO)cc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C21H21N7O3/c22-21-25-19-16(20-24-18(26-28(20)21)17-4-2-11-31-17)13-23-27(19)9-1-3-14-5-7-15(8-6-14)30-12-10-29/h2,4-8,11,13,29H,1,3,9-10,12H2,(H2,22,25)
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23.9n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells at 10 uM


Bioorg Med Chem Lett 20: 5690-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.021
BindingDB Entry DOI: 10.7270/Q2902418
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50327460
PNG
(7-(3-(4-ethoxyphenyl)propyl)-2-(furan-2-yl)-7H-pyr...)
Show SMILES CCOc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C21H21N7O2/c1-2-29-15-9-7-14(8-10-15)5-3-11-27-19-16(13-23-27)20-24-18(17-6-4-12-30-17)26-28(20)21(22)25-19/h4,6-10,12-13H,2-3,5,11H2,1H3,(H2,22,25)
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43.9n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells at 10 uM


Bioorg Med Chem Lett 20: 5690-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.021
BindingDB Entry DOI: 10.7270/Q2902418
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50327470
PNG
(2-(4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e]...)
Show SMILES CS(=O)(=O)OCCOc1ccc(CCCn2ncc3c4nc(nn4c(N)nc23)-c2ccco2)cc1
Show InChI InChI=1S/C22H23N7O5S/c1-35(30,31)34-13-12-32-16-8-6-15(7-9-16)4-2-10-28-20-17(14-24-28)21-25-19(18-5-3-11-33-18)27-29(21)22(23)26-20/h3,5-9,11,14H,2,4,10,12-13H2,1H3,(H2,23,26)
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45.7n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells at 10 uM


Bioorg Med Chem Lett 20: 5690-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.021
BindingDB Entry DOI: 10.7270/Q2902418
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50064700
PNG
(4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,...)
Show SMILES Nc1nc2n(CCCc3ccc(O)cc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C19H17N7O2/c20-19-23-17-14(18-22-16(24-26(18)19)15-4-2-10-28-15)11-21-25(17)9-1-3-12-5-7-13(27)8-6-12/h2,4-8,10-11,27H,1,3,9H2,(H2,20,23)
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48.3n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells at 10 uM


Bioorg Med Chem Lett 20: 5690-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.021
BindingDB Entry DOI: 10.7270/Q2902418
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50327468
PNG
(2-(furan-2-yl)-7-(3-(4-(3-phenylpropoxy)phenyl)pro...)
Show SMILES Nc1nc2n(CCCc3ccc(OCCc4ccccc4)cc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C27H25N7O2/c28-27-31-25-22(26-30-24(32-34(26)27)23-9-5-16-36-23)18-29-33(25)15-4-8-20-10-12-21(13-11-20)35-17-14-19-6-2-1-3-7-19/h1-3,5-7,9-13,16,18H,4,8,14-15,17H2,(H2,28,31)
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78.9n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells at 10 uM


Bioorg Med Chem Lett 20: 5690-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.021
BindingDB Entry DOI: 10.7270/Q2902418
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50327467
PNG
((E)-7-(3-(4-(cinnamyloxy)phenyl)propyl)-2-(furan-2...)
Show SMILES Nc1nc2n(CCCc3ccc(O\C=C\c4ccccc4)cc3)ncc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C27H23N7O2/c28-27-31-25-22(26-30-24(32-34(26)27)23-9-5-16-36-23)18-29-33(25)15-4-8-20-10-12-21(13-11-20)35-17-14-19-6-2-1-3-7-19/h1-3,5-7,9-14,16-18H,4,8,15H2,(H2,28,31)/b17-14+
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308n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells at 10 uM


Bioorg Med Chem Lett 20: 5690-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.021
BindingDB Entry DOI: 10.7270/Q2902418
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50327460
PNG
(7-(3-(4-ethoxyphenyl)propyl)-2-(furan-2-yl)-7H-pyr...)
Show SMILES CCOc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show InChI InChI=1S/C21H21N7O2/c1-2-29-15-9-7-14(8-10-15)5-3-11-27-19-16(13-23-27)20-24-18(17-6-4-12-30-17)26-28(20)21(22)25-19/h4,6-10,12-13H,2-3,5,11H2,1H3,(H2,22,25)
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4.94E+3n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5690-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.021
BindingDB Entry DOI: 10.7270/Q2902418
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM201601
PNG
(US9233979, 42)
Show SMILES CN1C[C@@H](NC(=O)Nc2cc3[nH]nc(N4CCOCC4)c3cn2)[C@H](C1)c1ccccc1 |r|
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US Patent
n/an/a 0.200n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was de...


US Patent US9233979 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T3B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM201669
PNG
(US9233979, 97)
Show SMILES C[C@@H](O)[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCOCC3)c2cn1)c1ccc(F)cc1 |r|
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n/an/a 0.200n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was de...


US Patent US9233979 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T3B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM201670
PNG
(US9233979, 98)
Show SMILES C[C@H](O)[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCOCC3)c2cn1)c1ccc(F)cc1 |r|
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n/an/a 0.200n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was de...


US Patent US9233979 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T3B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM201695
PNG
(US9233979, 126)
Show SMILES Cn1cc2CN(CCc2n1)c1n[nH]c2cc(NC(=O)N[C@@H](c3ccc(F)cc3)C(C)(C)O)ncc12 |r|
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n/an/a 0.200n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was de...


US Patent US9233979 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T3B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM201933
PNG
(US9233979, 364)
Show SMILES CC(=O)Nc1n[nH]c2cc(NC(=O)N[C@H](COC(F)F)c3ccccc3)ncc12 |r|
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n/an/a 0.300n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was de...


US Patent US9233979 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T3B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM201962
PNG
(US9233979, 394)
Show SMILES COC(=O)Nc1n[nH]c2cc(NC(=O)N[C@@H]3[C@H](O)CCOc4ccccc34)ncc12 |r|
PDB
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US Patent
n/an/a 0.300n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was de...


US Patent US9233979 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T3B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM201964
PNG
(US9233979, 396)
Show SMILES O[C@@H]1CCOc2ccccc2[C@@H]1NC(=O)Nc1cc2[nH]nc(NC(=O)N3CC(F)(F)C3)c2cn1 |r|
PDB
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n/an/a 0.300n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was de...


US Patent US9233979 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T3B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM202013
PNG
(US9233979, 445 | US9233979, 455 | US9233979, 456)
Show SMILES CC(O)[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCOCC3)c2cn1)c1ccccc1 |r|
PDB
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n/an/a 0.300n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was de...


US Patent US9233979 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T3B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM201681
PNG
(US9233979, 109)
Show SMILES CC(C)(O)[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCOCC3)c2c(CO)n1)c1ccccc1 |r|
PDB
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n/an/a 0.300n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was de...


US Patent US9233979 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T3B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM201668
PNG
(BDBM202039 | US9233979, 96)
Show SMILES C[C@@H](O)[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCOCC3)c2cn1)c1ccccc1 |r|
PDB
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n/an/a 0.300n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was de...


US Patent US9233979 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T3B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM201679
PNG
(US9233979, 107)
Show SMILES Cc1nc(NC(=O)N[C@@H](c2ccccc2)C(C)(C)O)cc2[nH]nc(N3CCOCC3)c12 |r|
PDB
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n/an/a 0.300n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was de...


US Patent US9233979 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T3B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM201693
PNG
(US9233979, 124)
Show SMILES CC(C)(O)[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCc4ncsc4C3)c2cn1)c1ccccc1 |r|
PDB
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n/an/a 0.300n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was de...


US Patent US9233979 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T3B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM201696
PNG
(US9233979, 127)
Show SMILES COC[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCc4ncsc4C3)c2cn1)c1ccccc1 |r|
PDB
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n/an/a 0.300n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was de...


US Patent US9233979 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T3B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM201585
PNG
(US9233979, 32)
Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCOCC3)c2cn1)c1ccccc1 |r|
PDB
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n/an/a 0.370n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was de...


US Patent US9233979 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T3B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM201961
PNG
(US9233979, 393)
Show SMILES C[C@@H](O)[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCc4nn(C)cc4C3)c2cn1)c1ccccc1 |r|
PDB
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n/an/a 0.400n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was de...


US Patent US9233979 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T3B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM202016
PNG
(US9233979, 448)
Show SMILES CCNc1n[nH]c2cc(NC(=O)N[C@@H](c3ccc(F)cc3)C(C)(C)O)ncc12 |r|
PDB
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n/an/a 0.400n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was de...


US Patent US9233979 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T3B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM202013
PNG
(US9233979, 445 | US9233979, 455 | US9233979, 456)
Show SMILES CC(O)[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCOCC3)c2cn1)c1ccccc1 |r|
PDB
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n/an/a 0.400n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was de...


US Patent US9233979 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T3B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM201888
PNG
(US9233979, 319)
Show SMILES COC[C@@H](NC(=O)Nc1cc2[nH]nc(NC(=O)C(C)C)c2cn1)c1ccccc1 |r|
PDB
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n/an/a 0.400n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was de...


US Patent US9233979 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T3B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM201908
PNG
(US9233979, 339)
Show SMILES COC[C@H](NC(=O)Nc1cc2[nH]nc(N3CCOCC3)c2cn1)c1ccc(F)cc1 |r|
PDB
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n/an/a 0.400n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was de...


US Patent US9233979 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T3B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM201915
PNG
(US9233979, 346)
Show SMILES COC[C@@H](NC(=O)Nc1cc2[nH]nc(NC3CCC3)c2cn1)c1ccccc1 |r|
PDB
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n/an/a 0.400n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was de...


US Patent US9233979 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T3B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM201935
PNG
(US9233979, 366)
Show SMILES CC(C)(O)[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCC(F)(F)CC3)c2cn1)c1ccccc1 |r|
PDB
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n/an/a 0.400n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was de...


US Patent US9233979 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T3B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM201668
PNG
(BDBM202039 | US9233979, 96)
Show SMILES C[C@@H](O)[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCOCC3)c2cn1)c1ccccc1 |r|
PDB
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n/an/a 0.400n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was de...


US Patent US9233979 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T3B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM201954
PNG
(US9233979, 386)
Show SMILES COC(=O)Nc1n[nH]c2cc(NC(=O)N[C@@H](c3ccc(F)cc3)C3(O)CCC3)ncc12 |r|
PDB
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n/an/a 0.400n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was de...


US Patent US9233979 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T3B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM201959
PNG
(US9233979, 391)
Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCc4nn(C)cc4C3)c2cn1)c1ccc(F)cc1 |r|
PDB
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n/an/a 0.400n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was de...


US Patent US9233979 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T3B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM202005
PNG
(US9233979, 437)
Show SMILES OC[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCOCC3)c2cn1)c1ccccc1 |r|
PDB
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n/an/a 0.400n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was de...


US Patent US9233979 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T3B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM202006
PNG
(US9233979, 438)
Show SMILES CC(C)(O)[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCOCC3)c2cn1)c1ccc(F)cc1 |r|
PDB
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n/an/a 0.400n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was de...


US Patent US9233979 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T3B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM202008
PNG
(US9233979, 440)
Show SMILES FC(F)OC[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCOCC3)c2cn1)c1ccccc1 |r|
PDB
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n/an/a 0.400n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was de...


US Patent US9233979 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T3B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM202013
PNG
(US9233979, 445 | US9233979, 455 | US9233979, 456)
Show SMILES CC(O)[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCOCC3)c2cn1)c1ccccc1 |r|
PDB
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n/an/a 0.400n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was de...


US Patent US9233979 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T3B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM201694
PNG
(US9233979, 125)
Show SMILES CC(C)(O)[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCc4ncsc4C3)c2cn1)c1ccc(F)cc1 |r|
PDB
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n/an/a 0.400n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was de...


US Patent US9233979 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T3B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM201957
PNG
(US9233979, 389)
Show SMILES COC(=O)Nc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)C(C)(C)O)ncc12 |r|
PDB
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n/an/a 0.400n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was de...


US Patent US9233979 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T3B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM201583
PNG
(US9233979, 30)
Show SMILES COC[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCOCC3)c2cn1)c1ccccc1 |r|
PDB
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n/an/a 0.400n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was de...


US Patent US9233979 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T3B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM201584
PNG
(US9233979, 31)
Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCOCC3)c2cn1)c1ccc(F)cc1 |r|
PDB
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US Patent
n/an/a 0.400n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was de...


US Patent US9233979 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T3B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM201680
PNG
(US9233979, 108)
Show SMILES C[C@@H](O)[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCOCC3)c2c(CO)n1)c1ccc(F)cc1 |r|
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.400n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was de...


US Patent US9233979 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T3B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM201692
PNG
(US9233979, 123)
Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCc4ncsc4C3)c2cn1)c1ccccc1 |r|
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.400n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was de...


US Patent US9233979 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T3B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM201698
PNG
(US9233979, 129)
Show SMILES CC(C)(O)[C@@H](NC(=O)Nc1cc2[nH]nc(NC(=O)N3CC(F)(F)C3)c2cn1)c1ccc(F)cc1 |r|
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.400n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was de...


US Patent US9233979 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T3B
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM201829
PNG
(US9233979, 260)
Show SMILES Nc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)C3(O)CCCC3)ncc12 |r|
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.400n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was de...


US Patent US9233979 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T3B
More data for this
Ligand-Target Pair
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