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Compile Data Set for Download or QSAR

Found 793 hits with Last Name = 'hata' and Initial = 't'   
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
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))		BDBM50177675
PNG
(CHEMBL3814634)
Show SMILES CC(C)Oc1cccc(c1)-c1c(-c2c(C)n[nH]c2C)c2cc(ccc2n1CCC(O)=O)C1CC1 |(9.68,3.39,;8.99,2.37,;9.53,1.26,;7.45,2.48,;6.59,1.2,;7.27,-.19,;6.41,-1.46,;4.87,-1.36,;4.2,.03,;5.05,1.3,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;3.66,-3.26,;4.7,-2.6,;3.55,-4.79,;2.05,-5.16,;1.24,-3.85,;.01,-3.75,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.24,2.7,;3.75,3.01,;4.23,4.48,;3.41,5.4,;5.43,4.73,;-3.71,-1.53,;-4.4,-2.82,;-5.17,-1.49,)|
Show InChI InChI=1S/C28H31N3O3/c1-16(2)34-22-7-5-6-21(14-22)28-27(26-17(3)29-30-18(26)4)23-15-20(19-8-9-19)10-11-24(23)31(28)13-12-25(32)33/h5-7,10-11,14-16,19H,8-9,12-13H2,1-4H3,(H,29,30)(H,32,33)
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 30n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged human recombinant FABP4 expressed in Escherichia coli BL21 (DE3) by fluorescence assay

ACS Med Chem Lett 7: 435-9 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00040
BindingDB Entry DOI: 10.7270/Q2RX9F0J
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))		BDBM50177674
PNG
(CHEMBL3813892)
Show SMILES COc1cnccc1-c1c(-c2ccccc2)n(CCC(O)=O)c2ccc(cc12)C1CC1 |(6.01,-2.39,;4.83,-2.05,;3.72,-3.12,;4.09,-4.62,;2.98,-5.68,;1.5,-5.26,;1.13,-3.76,;2.24,-2.7,;1.76,-1.24,;2.66,.02,;4.2,.03,;5.05,1.3,;6.59,1.2,;7.27,-.19,;6.41,-1.46,;4.87,-1.36,;1.76,1.24,;2.24,2.7,;3.75,3.01,;4.23,4.48,;3.41,5.4,;5.43,4.73,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;-3.71,-1.53,;-4.4,-2.82,;-5.17,-1.49,)|
Show InChI InChI=1S/C26H24N2O3/c1-31-23-16-27-13-11-20(23)25-21-15-19(17-7-8-17)9-10-22(21)28(14-12-24(29)30)26(25)18-5-3-2-4-6-18/h2-6,9-11,13,15-17H,7-8,12,14H2,1H3,(H,29,30)
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 100n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged human recombinant FABP4 expressed in Escherichia coli BL21 (DE3) by fluorescence assay

ACS Med Chem Lett 7: 435-9 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00040
BindingDB Entry DOI: 10.7270/Q2RX9F0J
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))		BDBM50177673
PNG
(CHEMBL3814575)
Show SMILES OC(=O)CCn1c(c(-c2ccccc2)c2cc(ccc12)C1CC1)-c1ccccc1
Show InChI InChI=1S/C26H23NO2/c28-24(29)15-16-27-23-14-13-21(18-11-12-18)17-22(23)25(19-7-3-1-4-8-19)26(27)20-9-5-2-6-10-20/h1-10,13-14,17-18H,11-12,15-16H2,(H,28,29)
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 120n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged human recombinant FABP4 expressed in Escherichia coli BL21 (DE3) by fluorescence assay

ACS Med Chem Lett 7: 435-9 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00040
BindingDB Entry DOI: 10.7270/Q2RX9F0J
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))		BDBM50212873
PNG
(((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-BIPH...)
Show SMILES CCc1c(c(nn1-c1ccccc1-c1cccc(OCC(O)=O)c1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H26N2O3/c1-2-27-30(22-12-5-3-6-13-22)31(23-14-7-4-8-15-23)32-33(27)28-19-10-9-18-26(28)24-16-11-17-25(20-24)36-21-29(34)35/h3-20H,2,21H2,1H3,(H,34,35)
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 160n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged human recombinant FABP4 expressed in Escherichia coli BL21 (DE3) by fluorescence assay

ACS Med Chem Lett 7: 435-9 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00040
BindingDB Entry DOI: 10.7270/Q2RX9F0J
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))		BDBM50177672
PNG
(CHEMBL1586017)
Show SMILES OC(=O)CCn1c(cc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C17H15NO2/c19-17(20)10-11-18-15-9-5-4-8-14(15)12-16(18)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,19,20)
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>1.40E+3n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged human recombinant FABP4 expressed in Escherichia coli BL21 (DE3) by fluorescence assay

ACS Med Chem Lett 7: 435-9 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00040
BindingDB Entry DOI: 10.7270/Q2RX9F0J
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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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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))		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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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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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|
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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|
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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|
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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|
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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|
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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|
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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|
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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|
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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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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|
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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))		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|
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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|
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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|
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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))		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))		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))		BDBM201829
PNG
(US9233979, 260)
Show SMILES Nc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)C3(O)CCCC3)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))		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))		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
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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))		BDBM201692
PNG
(US9233979, 123)
Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCc4ncsc4C3)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))		BDBM201958
PNG
(US9233979, 390)
Show SMILES COC(=O)Nc1n[nH]c2cc(NC(=O)N[C@@H](c3ccc(F)cc3)C(C)(C)O)ncc12 |r|
PDB
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n/an/a 0.5n/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))		BDBM201955
PNG
(US9233979, 387)
Show SMILES C[C@@H](O)[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCc4ncsc4C3)c2cn1)c1ccccc1 |r|
PDB
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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))		BDBM201699
PNG
(US9233979, 130)
Show SMILES CC(C)(O)[C@@H](NC(=O)Nc1cc2[nH]nc(NC(=O)N3CCC3)c2cn1)c1ccc(F)cc1 |r|
PDB
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n/an/a 0.5n/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))		BDBM201999
PNG
(US9233979, 431)
Show SMILES CCNc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)C(C)(C)OC)ncc12 |r|
PDB
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n/an/a 0.5n/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))		BDBM202001
PNG
(US9233979, 433)
Show SMILES CC(C)(O)[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCOCC3)c2cn1)c1ccccc1 |r|
PDB
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n/an/a 0.5n/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))		BDBM201678
PNG
(US9233979, 106)
Show SMILES C[C@@H](O)[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCOCC3)c2c(C)n1)c1ccc(F)cc1 |r|
PDB
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n/an/a 0.5n/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))		BDBM202010
PNG
(US9233979, 442)
Show SMILES CC(C)(O)[C@@H](NC(=O)Nc1cc2[nH]nc(N3CC4CCC(C3)O4)c2cn1)c1ccccc1 |r|
PDB
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n/an/a 0.5n/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))		BDBM201640
PNG
(US9233979, 68)
Show SMILES C[C@@H](NC(=O)Nc1cc2[nH]nc(N)c2c(CO)n1)c1ccccc1 |r|
PDB
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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))		BDBM201683
PNG
(US9233979, 111 | US9233979, 112)
Show SMILES C[C@@H](O)[C@@H](NC(=O)Nc1cc2[nH]nc(N3CC4CC3CO4)c2cn1)c1ccccc1 |r|
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.5n/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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