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Compile Data Set for Download or QSAR

Found 119 hits with Last Name = 'vitulli' and Initial = 'g'   
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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50418599
PNG
(CHEMBL1784164)
Show SMILES Cc1c(F)cc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)NC1CC1
Show InChI InChI=1S/C22H23FN2O2/c1-13-19(10-17(11-20(13)23)22(27)25-18-8-9-18)15-4-6-16(7-5-15)21(26)24-12-14-2-3-14/h4-7,10-11,14,18H,2-3,8-9,12H2,1H3,(H,24,26)(H,25,27)
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3.98n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged p38alpha by fluorescence polarization method


J Med Chem 52: 6257-69 (2009)


Article DOI: 10.1021/jm9004779
BindingDB Entry DOI: 10.7270/Q2J967NC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50418612
PNG
(CHEMBL1784177)
Show SMILES C[C@H](NC(=O)c1ccc(nc1)-c1cc(cc(F)c1C)C(=O)NC1CC1)C(C)(C)C |r|
Show InChI InChI=1S/C23H28FN3O2/c1-13-18(10-16(11-19(13)24)22(29)27-17-7-8-17)20-9-6-15(12-25-20)21(28)26-14(2)23(3,4)5/h6,9-12,14,17H,7-8H2,1-5H3,(H,26,28)(H,27,29)/t14-/m0/s1
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6.31n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged p38alpha by fluorescence polarization method


J Med Chem 52: 6257-69 (2009)


Article DOI: 10.1021/jm9004779
BindingDB Entry DOI: 10.7270/Q2J967NC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50418607
PNG
(CHEMBL1784173)
Show SMILES CC(C)CNC(=O)c1ccc(nc1)-c1cc(cc(F)c1C)C(=O)NC1CC1
Show InChI InChI=1S/C21H24FN3O2/c1-12(2)10-24-20(26)14-4-7-19(23-11-14)17-8-15(9-18(22)13(17)3)21(27)25-16-5-6-16/h4,7-9,11-12,16H,5-6,10H2,1-3H3,(H,24,26)(H,25,27)
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7.94n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged p38alpha by fluorescence polarization method


J Med Chem 52: 6257-69 (2009)


Article DOI: 10.1021/jm9004779
BindingDB Entry DOI: 10.7270/Q2J967NC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50418606
PNG
(CHEMBL1784172)
Show SMILES Cc1c(F)cc(cc1-c1ccc(cn1)C(=O)NCC1CC1)C(=O)NC1CC1
Show InChI InChI=1S/C21H22FN3O2/c1-12-17(8-15(9-18(12)22)21(27)25-16-5-6-16)19-7-4-14(11-23-19)20(26)24-10-13-2-3-13/h4,7-9,11,13,16H,2-3,5-6,10H2,1H3,(H,24,26)(H,25,27)
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7.94n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged p38alpha by fluorescence polarization method


J Med Chem 52: 6257-69 (2009)


Article DOI: 10.1021/jm9004779
BindingDB Entry DOI: 10.7270/Q2J967NC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50418608
PNG
(CHEMBL1784174)
Show SMILES CC(C)[C@@H](C)NC(=O)c1ccc(nc1)-c1cc(cc(F)c1C)C(=O)NC1CC1 |r|
Show InChI InChI=1S/C22H26FN3O2/c1-12(2)14(4)25-21(27)15-5-8-20(24-11-15)18-9-16(10-19(23)13(18)3)22(28)26-17-6-7-17/h5,8-12,14,17H,6-7H2,1-4H3,(H,25,27)(H,26,28)/t14-/m1/s1
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7.94n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged p38alpha by fluorescence polarization method


J Med Chem 52: 6257-69 (2009)


Article DOI: 10.1021/jm9004779
BindingDB Entry DOI: 10.7270/Q2J967NC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50418610
PNG
(GW-856553 | GW856553X | LOSMAPIMOD)
Show SMILES Cc1c(F)cc(cc1-c1ccc(cn1)C(=O)NCC(C)(C)C)C(=O)NC1CC1
Show InChI InChI=1S/C22H26FN3O2/c1-13-17(9-15(10-18(13)23)21(28)26-16-6-7-16)19-8-5-14(11-24-19)20(27)25-12-22(2,3)4/h5,8-11,16H,6-7,12H2,1-4H3,(H,25,27)(H,26,28)
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7.94n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged p38alpha by fluorescence polarization method


J Med Chem 52: 6257-69 (2009)


Article DOI: 10.1021/jm9004779
BindingDB Entry DOI: 10.7270/Q2J967NC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50418609
PNG
(CHEMBL1784175)
Show SMILES CC(C)[C@H](C)NC(=O)c1ccc(nc1)-c1cc(cc(F)c1C)C(=O)NC1CC1 |r|
Show InChI InChI=1S/C22H26FN3O2/c1-12(2)14(4)25-21(27)15-5-8-20(24-11-15)18-9-16(10-19(23)13(18)3)22(28)26-17-6-7-17/h5,8-12,14,17H,6-7H2,1-4H3,(H,25,27)(H,26,28)/t14-/m0/s1
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7.94n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged p38alpha by fluorescence polarization method


J Med Chem 52: 6257-69 (2009)


Article DOI: 10.1021/jm9004779
BindingDB Entry DOI: 10.7270/Q2J967NC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50418603
PNG
(CHEMBL1784169)
Show SMILES Cc1nc(CNC(=O)c2ccc(cc2)-c2cc(cc(F)c2C)C(=O)NC2CC2)cs1
Show InChI InChI=1S/C23H22FN3O2S/c1-13-20(9-17(10-21(13)24)23(29)27-18-7-8-18)15-3-5-16(6-4-15)22(28)25-11-19-12-30-14(2)26-19/h3-6,9-10,12,18H,7-8,11H2,1-2H3,(H,25,28)(H,27,29)
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged p38alpha by fluorescence polarization method


J Med Chem 52: 6257-69 (2009)


Article DOI: 10.1021/jm9004779
BindingDB Entry DOI: 10.7270/Q2J967NC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50418605
PNG
(CHEMBL1784171)
Show SMILES Cc1c(F)cc(cc1-c1ccc(cc1)C(=O)NCC(C)(C)O)C(=O)NC1CC1
Show InChI InChI=1S/C22H25FN2O3/c1-13-18(10-16(11-19(13)23)21(27)25-17-8-9-17)14-4-6-15(7-5-14)20(26)24-12-22(2,3)28/h4-7,10-11,17,28H,8-9,12H2,1-3H3,(H,24,26)(H,25,27)
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged p38alpha by fluorescence polarization method


J Med Chem 52: 6257-69 (2009)


Article DOI: 10.1021/jm9004779
BindingDB Entry DOI: 10.7270/Q2J967NC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50263093
PNG
(6-Methyl-biphenyl-3,4'-dicarboxylic acid 3-cyclopr...)
Show SMILES Cc1ccc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)NC1CC1
Show InChI InChI=1S/C22H24N2O2/c1-14-2-5-18(22(26)24-19-10-11-19)12-20(14)16-6-8-17(9-7-16)21(25)23-13-15-3-4-15/h2,5-9,12,15,19H,3-4,10-11,13H2,1H3,(H,23,25)(H,24,26)
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12.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged p38alpha by fluorescence polarization method


J Med Chem 52: 6257-69 (2009)


Article DOI: 10.1021/jm9004779
BindingDB Entry DOI: 10.7270/Q2J967NC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50418604
PNG
(CHEMBL1784170)
Show SMILES COCCNC(=O)c1ccc(cc1)-c1cc(cc(F)c1C)C(=O)NC1CC1
Show InChI InChI=1S/C21H23FN2O3/c1-13-18(11-16(12-19(13)22)21(26)24-17-7-8-17)14-3-5-15(6-4-14)20(25)23-9-10-27-2/h3-6,11-12,17H,7-10H2,1-2H3,(H,23,25)(H,24,26)
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12.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged p38alpha by fluorescence polarization method


J Med Chem 52: 6257-69 (2009)


Article DOI: 10.1021/jm9004779
BindingDB Entry DOI: 10.7270/Q2J967NC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50418611
PNG
(CHEMBL1784176)
Show SMILES C[C@@H](NC(=O)c1ccc(nc1)-c1cc(cc(F)c1C)C(=O)NC1CC1)C(C)(C)C |r|
Show InChI InChI=1S/C23H28FN3O2/c1-13-18(10-16(11-19(13)24)22(29)27-17-7-8-17)20-9-6-15(12-25-20)21(28)26-14(2)23(3,4)5/h6,9-12,14,17H,7-8H2,1-5H3,(H,26,28)(H,27,29)/t14-/m1/s1
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12.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged p38alpha by fluorescence polarization method


J Med Chem 52: 6257-69 (2009)


Article DOI: 10.1021/jm9004779
BindingDB Entry DOI: 10.7270/Q2J967NC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50418600
PNG
(CHEMBL1784165)
Show SMILES Cc1c(Cl)cc(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)NC1CC1
Show InChI InChI=1S/C22H23ClN2O2/c1-13-19(10-17(11-20(13)23)22(27)25-18-8-9-18)15-4-6-16(7-5-15)21(26)24-12-14-2-3-14/h4-7,10-11,14,18H,2-3,8-9,12H2,1H3,(H,24,26)(H,25,27)
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12.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged p38alpha by fluorescence polarization method


J Med Chem 52: 6257-69 (2009)


Article DOI: 10.1021/jm9004779
BindingDB Entry DOI: 10.7270/Q2J967NC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50418602
PNG
(CHEMBL1784168)
Show SMILES Cc1c(F)cc(cc1-c1ccc(cc1)C(=O)NCC1CCCO1)C(=O)NC1CC1
Show InChI InChI=1S/C23H25FN2O3/c1-14-20(11-17(12-21(14)24)23(28)26-18-8-9-18)15-4-6-16(7-5-15)22(27)25-13-19-3-2-10-29-19/h4-7,11-12,18-19H,2-3,8-10,13H2,1H3,(H,25,27)(H,26,28)
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15.8n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged p38alpha by fluorescence polarization method


J Med Chem 52: 6257-69 (2009)


Article DOI: 10.1021/jm9004779
BindingDB Entry DOI: 10.7270/Q2J967NC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50418610
PNG
(GW-856553 | GW856553X | LOSMAPIMOD)
Show SMILES Cc1c(F)cc(cc1-c1ccc(cn1)C(=O)NCC(C)(C)C)C(=O)NC1CC1
Show InChI InChI=1S/C22H26FN3O2/c1-13-17(9-15(10-18(13)23)21(28)26-16-6-7-16)19-8-5-14(11-24-19)20(27)25-12-22(2,3)4/h5,8-11,16H,6-7,12H2,1-4H3,(H,25,27)(H,26,28)
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25.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged p38beta by fluorescence polarization method


J Med Chem 52: 6257-69 (2009)


Article DOI: 10.1021/jm9004779
BindingDB Entry DOI: 10.7270/Q2J967NC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50418606
PNG
(CHEMBL1784172)
Show SMILES Cc1c(F)cc(cc1-c1ccc(cn1)C(=O)NCC1CC1)C(=O)NC1CC1
Show InChI InChI=1S/C21H22FN3O2/c1-12-17(8-15(9-18(12)22)21(27)25-16-5-6-16)19-7-4-14(11-23-19)20(26)24-10-13-2-3-13/h4,7-9,11,13,16H,2-3,5-6,10H2,1H3,(H,24,26)(H,25,27)
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25.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged p38beta by fluorescence polarization method


J Med Chem 52: 6257-69 (2009)


Article DOI: 10.1021/jm9004779
BindingDB Entry DOI: 10.7270/Q2J967NC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50418613
PNG
(CHEMBL1232887)
Show SMILES Cc1ccc(cc1-c1ccc(cn1)C(=O)NCC1CC1)C(=O)NC1CC1
Show InChI InChI=1S/C21H23N3O2/c1-13-2-5-15(21(26)24-17-7-8-17)10-18(13)19-9-6-16(12-22-19)20(25)23-11-14-3-4-14/h2,5-6,9-10,12,14,17H,3-4,7-8,11H2,1H3,(H,23,25)(H,24,26)
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25.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged p38alpha by fluorescence polarization method


J Med Chem 52: 6257-69 (2009)


Article DOI: 10.1021/jm9004779
BindingDB Entry DOI: 10.7270/Q2J967NC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50418610
PNG
(GW-856553 | GW856553X | LOSMAPIMOD)
Show SMILES Cc1c(F)cc(cc1-c1ccc(cn1)C(=O)NCC(C)(C)C)C(=O)NC1CC1
Show InChI InChI=1S/C22H26FN3O2/c1-13-17(9-15(10-18(13)23)21(28)26-16-6-7-16)19-8-5-14(11-24-19)20(27)25-12-22(2,3)4/h5,8-11,16H,6-7,12H2,1-4H3,(H,25,27)(H,26,28)
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63.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Competitive inhibition of p38alpha catalytic activity using ATP


J Med Chem 52: 6257-69 (2009)


Article DOI: 10.1021/jm9004779
BindingDB Entry DOI: 10.7270/Q2J967NC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50418601
PNG
(CHEMBL1784166)
Show SMILES Cc1cc(cc(c1C)-c1ccc(cc1)C(=O)NCC1CC1)C(=O)NC1CC1
Show InChI InChI=1S/C23H26N2O2/c1-14-11-19(23(27)25-20-9-10-20)12-21(15(14)2)17-5-7-18(8-6-17)22(26)24-13-16-3-4-16/h5-8,11-12,16,20H,3-4,9-10,13H2,1-2H3,(H,24,26)(H,25,27)
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged p38alpha by fluorescence polarization method


J Med Chem 52: 6257-69 (2009)


Article DOI: 10.1021/jm9004779
BindingDB Entry DOI: 10.7270/Q2J967NC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50418615
PNG
(CHEMBL1784167)
Show SMILES Cc1cc(F)c(cc1-c1ccc(cc1)C(=O)NCC1CC1)C(=O)NC1CC1
Show InChI InChI=1S/C22H23FN2O2/c1-13-10-20(23)19(22(27)25-17-8-9-17)11-18(13)15-4-6-16(7-5-15)21(26)24-12-14-2-3-14/h4-7,10-11,14,17H,2-3,8-9,12H2,1H3,(H,24,26)(H,25,27)
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126n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged p38alpha by fluorescence polarization method


J Med Chem 52: 6257-69 (2009)


Article DOI: 10.1021/jm9004779
BindingDB Entry DOI: 10.7270/Q2J967NC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50418607
PNG
(CHEMBL1784173)
Show SMILES CC(C)CNC(=O)c1ccc(nc1)-c1cc(cc(F)c1C)C(=O)NC1CC1
Show InChI InChI=1S/C21H24FN3O2/c1-12(2)10-24-20(26)14-4-7-19(23-11-14)17-8-15(9-18(22)13(17)3)21(27)25-16-5-6-16/h4,7-9,11-12,16H,5-6,10H2,1-3H3,(H,24,26)(H,25,27)
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158n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged p38beta by fluorescence polarization method


J Med Chem 52: 6257-69 (2009)


Article DOI: 10.1021/jm9004779
BindingDB Entry DOI: 10.7270/Q2J967NC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50418614
PNG
(CHEMBL1782167)
Show SMILES Cc1ccc(cc1-c1ccc(nc1)C(=O)NCC1CC1)C(=O)NC1CC1
Show InChI InChI=1S/C21H23N3O2/c1-13-2-5-15(20(25)24-17-7-8-17)10-18(13)16-6-9-19(22-12-16)21(26)23-11-14-3-4-14/h2,5-6,9-10,12,14,17H,3-4,7-8,11H2,1H3,(H,23,26)(H,24,25)
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794n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged p38alpha by fluorescence polarization method


J Med Chem 52: 6257-69 (2009)


Article DOI: 10.1021/jm9004779
BindingDB Entry DOI: 10.7270/Q2J967NC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50423046
PNG
(CHEMBL234972)
Show SMILES CCCOC(=O)c1[nH]cc(C(=O)O[C@@H](C)C(C)(C)C)c1C
Show InChI InChI=1S/C16H25NO4/c1-7-8-20-15(19)13-10(2)12(9-17-13)14(18)21-11(3)16(4,5)6/h9,11,17H,7-8H2,1-6H3/t11-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant mGluR1a receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 969-73 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.039
BindingDB Entry DOI: 10.7270/Q2GM88MK
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50423382
PNG
(CHEMBL251386)
Show SMILES CCCC(CCC)n1cc2CCN(c3ccc(cc3C)C#N)c3nc(C)cc1c23
Show InChI InChI=1S/C25H30N4/c1-5-7-21(8-6-2)29-16-20-11-12-28(22-10-9-19(15-26)13-17(22)3)25-24(20)23(29)14-18(4)27-25/h9-10,13-14,16,21H,5-8,11-12H2,1-4H3
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n/an/a 4n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human recombinant CRF1 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 5218-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.077
BindingDB Entry DOI: 10.7270/Q2P55PS1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50418612
PNG
(CHEMBL1784177)
Show SMILES C[C@H](NC(=O)c1ccc(nc1)-c1cc(cc(F)c1C)C(=O)NC1CC1)C(C)(C)C |r|
Show InChI InChI=1S/C23H28FN3O2/c1-13-18(10-16(11-19(13)24)22(29)27-17-7-8-17)20-9-6-15(12-25-20)21(28)26-14(2)23(3,4)5/h6,9-12,14,17H,7-8H2,1-5H3,(H,26,28)(H,27,29)/t14-/m0/s1
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n/an/a 6.31n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of p38alpha-dependent TNFalpha production in human whole blood preincubated for 1 hr before LPS challenge by ELISA


J Med Chem 52: 6257-69 (2009)


Article DOI: 10.1021/jm9004779
BindingDB Entry DOI: 10.7270/Q2J967NC
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50423380
PNG
(CHEMBL413134)
Show SMILES CCC(CC)n1cc2CCN(c3ccc(cc3C)C#N)c3nc(C)cc1c23
Show InChI InChI=1S/C23H26N4/c1-5-19(6-2)27-14-18-9-10-26(20-8-7-17(13-24)11-15(20)3)23-22(18)21(27)12-16(4)25-23/h7-8,11-12,14,19H,5-6,9-10H2,1-4H3
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n/an/a 13n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human recombinant CRF1 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 5218-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.077
BindingDB Entry DOI: 10.7270/Q2P55PS1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50423385
PNG
(CHEMBL248962)
Show SMILES CCC(CC)n1cc2CCN(c3ccc(OC)cc3C)c3nc(C)cc1c23
Show InChI InChI=1S/C23H29N3O/c1-6-18(7-2)26-14-17-10-11-25(20-9-8-19(27-5)12-15(20)3)23-22(17)21(26)13-16(4)24-23/h8-9,12-14,18H,6-7,10-11H2,1-5H3
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n/an/a 13n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human recombinant CRF1 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 5218-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.077
BindingDB Entry DOI: 10.7270/Q2P55PS1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50058163
PNG
(Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...)
Show SMILES CCCCN(CC)c1nc(C)nc2n(cc(C)c12)-c1c(C)cc(C)cc1C |(-10.62,2.69,;-9.29,3.46,;-7.95,2.7,;-6.62,3.48,;-5.28,2.71,;-3.95,3.49,;-3.96,5.03,;-5.27,1.17,;-6.6,.4,;-6.6,-1.14,;-7.94,-1.91,;-5.27,-1.91,;-3.92,-1.14,;-2.44,-1.61,;-1.54,-.35,;-2.46,.9,;-1.99,2.37,;-3.93,.41,;-1.96,-3.07,;-2.99,-4.22,;-4.49,-3.91,;-2.5,-5.68,;-.99,-5.99,;-.51,-7.46,;.03,-4.83,;-.46,-3.38,;.56,-2.22,)|
Show InChI InChI=1S/C23H32N4/c1-8-10-11-26(9-2)22-20-18(6)14-27(23(20)25-19(7)24-22)21-16(4)12-15(3)13-17(21)5/h12-14H,8-11H2,1-7H3
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human recombinant CRF1 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 5218-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.077
BindingDB Entry DOI: 10.7270/Q2P55PS1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50423373
PNG
(CHEMBL178949)
Show SMILES CCCC(CCC)n1cc2CCN(c3ccc(cc3C(F)(F)F)C(F)(F)F)c3nc(C)nc1c23
Show InChI InChI=1S/C24H26F6N4/c1-4-6-17(7-5-2)34-13-15-10-11-33(21-20(15)22(34)32-14(3)31-21)19-9-8-16(23(25,26)27)12-18(19)24(28,29)30/h8-9,12-13,17H,4-7,10-11H2,1-3H3
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human recombinant CRF1 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 5218-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.077
BindingDB Entry DOI: 10.7270/Q2P55PS1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50204428
PNG
((S)-4-(3,3-dimethylbutan-2-yl) 2-propyl 3,5-dimeth...)
Show SMILES CCCOC(=O)c1[nH]c(C)c(C(=O)O[C@@H](C)C(C)(C)C)c1C
Show InChI InChI=1S/C17H27NO4/c1-8-9-21-16(20)14-10(2)13(11(3)18-14)15(19)22-12(4)17(5,6)7/h12,18H,8-9H2,1-7H3/t12-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as inhibition of intracellular calcium ion mobilization by FLIPR assay


Bioorg Med Chem Lett 17: 2254-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.055
BindingDB Entry DOI: 10.7270/Q2FT8KPZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50418608
PNG
(CHEMBL1784174)
Show SMILES CC(C)[C@@H](C)NC(=O)c1ccc(nc1)-c1cc(cc(F)c1C)C(=O)NC1CC1 |r|
Show InChI InChI=1S/C22H26FN3O2/c1-12(2)14(4)25-21(27)15-5-8-20(24-11-15)18-9-16(10-19(23)13(18)3)22(28)26-17-6-7-17/h5,8-12,14,17H,6-7H2,1-4H3,(H,25,27)(H,26,28)/t14-/m1/s1
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n/an/a 19.9n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of p38alpha-dependent TNFalpha production in human whole blood preincubated for 1 hr before LPS challenge by ELISA


J Med Chem 52: 6257-69 (2009)


Article DOI: 10.1021/jm9004779
BindingDB Entry DOI: 10.7270/Q2J967NC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50423047
PNG
(CHEMBL396593)
Show SMILES CCOC(=O)c1[nH]cc(C(=O)OC2CC3CCC2C3)c1C |TLB:11:12:16.15:18|
Show InChI InChI=1S/C16H21NO4/c1-3-20-16(19)14-9(2)12(8-17-14)15(18)21-13-7-10-4-5-11(13)6-10/h8,10-11,13,17H,3-7H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant mGluR1a receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 969-73 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.039
BindingDB Entry DOI: 10.7270/Q2GM88MK
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50423375
PNG
(CHEMBL179435)
Show SMILES CCC(CC)n1cc2CCN(c3ccc(cc3C(F)(F)F)C(F)(F)F)c3nc(C)nc1c23
Show InChI InChI=1S/C22H22F6N4/c1-4-15(5-2)32-11-13-8-9-31(19-18(13)20(32)30-12(3)29-19)17-7-6-14(21(23,24)25)10-16(17)22(26,27)28/h6-7,10-11,15H,4-5,8-9H2,1-3H3
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human recombinant CRF1 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 5218-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.077
BindingDB Entry DOI: 10.7270/Q2P55PS1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50418610
PNG
(GW-856553 | GW856553X | LOSMAPIMOD)
Show SMILES Cc1c(F)cc(cc1-c1ccc(cn1)C(=O)NCC(C)(C)C)C(=O)NC1CC1
Show InChI InChI=1S/C22H26FN3O2/c1-13-17(9-15(10-18(13)23)21(28)26-16-6-7-16)19-8-5-14(11-24-19)20(27)25-12-22(2,3)4/h5,8-11,16H,6-7,12H2,1-4H3,(H,25,27)(H,26,28)
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n/an/a 25.1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of p38alpha-dependent TNFalpha production in human whole blood preincubated for 1 hr before LPS challenge by ELISA


J Med Chem 52: 6257-69 (2009)


Article DOI: 10.1021/jm9004779
BindingDB Entry DOI: 10.7270/Q2J967NC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50418609
PNG
(CHEMBL1784175)
Show SMILES CC(C)[C@H](C)NC(=O)c1ccc(nc1)-c1cc(cc(F)c1C)C(=O)NC1CC1 |r|
Show InChI InChI=1S/C22H26FN3O2/c1-12(2)14(4)25-21(27)15-5-8-20(24-11-15)18-9-16(10-19(23)13(18)3)22(28)26-17-6-7-17/h5,8-12,14,17H,6-7H2,1-4H3,(H,25,27)(H,26,28)/t14-/m0/s1
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n/an/a 25.1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of p38alpha-dependent TNFalpha production in human whole blood preincubated for 1 hr before LPS challenge by ELISA


J Med Chem 52: 6257-69 (2009)


Article DOI: 10.1021/jm9004779
BindingDB Entry DOI: 10.7270/Q2J967NC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50418611
PNG
(CHEMBL1784176)
Show SMILES C[C@@H](NC(=O)c1ccc(nc1)-c1cc(cc(F)c1C)C(=O)NC1CC1)C(C)(C)C |r|
Show InChI InChI=1S/C23H28FN3O2/c1-13-18(10-16(11-19(13)24)22(29)27-17-7-8-17)20-9-6-15(12-25-20)21(28)26-14(2)23(3,4)5/h6,9-12,14,17H,7-8H2,1-5H3,(H,26,28)(H,27,29)/t14-/m1/s1
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n/an/a 25.1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of p38alpha-dependent TNFalpha production in human whole blood preincubated for 1 hr before LPS challenge by ELISA


J Med Chem 52: 6257-69 (2009)


Article DOI: 10.1021/jm9004779
BindingDB Entry DOI: 10.7270/Q2J967NC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50418611
PNG
(CHEMBL1784176)
Show SMILES C[C@@H](NC(=O)c1ccc(nc1)-c1cc(cc(F)c1C)C(=O)NC1CC1)C(C)(C)C |r|
Show InChI InChI=1S/C23H28FN3O2/c1-13-18(10-16(11-19(13)24)22(29)27-17-7-8-17)20-9-6-15(12-25-20)21(28)26-14(2)23(3,4)5/h6,9-12,14,17H,7-8H2,1-5H3,(H,26,28)(H,27,29)/t14-/m1/s1
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n/an/a 25.1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of p38alpha-dependent TNFalpha production in human PBMC preincubated for 1 hr before LPS challenge by ELISA


J Med Chem 52: 6257-69 (2009)


Article DOI: 10.1021/jm9004779
BindingDB Entry DOI: 10.7270/Q2J967NC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50423045
PNG
(CHEMBL233708)
Show SMILES COCCNC(=O)c1[nH]cc(C(=O)O[C@@H](C)C(C)(C)C)c1C
Show InChI InChI=1S/C16H26N2O4/c1-10-12(15(20)22-11(2)16(3,4)5)9-18-13(10)14(19)17-7-8-21-6/h9,11,18H,7-8H2,1-6H3,(H,17,19)/t11-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of recombinant mGluR1a receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 969-73 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.039
BindingDB Entry DOI: 10.7270/Q2GM88MK
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50423379
PNG
(CHEMBL179608)
Show SMILES CCCC(CCC)N1CCC2CN(c3nc(C)nc1c23)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H28Cl2N4/c1-4-6-17(7-5-2)27-11-10-15-13-28(19-9-8-16(23)12-18(19)24)22-20(15)21(27)25-14(3)26-22/h8-9,12,15,17H,4-7,10-11,13H2,1-3H3
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GlaxoSmithkline

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human recombinant CRF1 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 5218-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.077
BindingDB Entry DOI: 10.7270/Q2P55PS1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50423383
PNG
(CHEMBL250182)
Show SMILES CCCC(CCC)n1cc2CCN(c3ccc(OC)c(F)c3)c3nc(C)cc1c23
Show InChI InChI=1S/C24H30FN3O/c1-5-7-18(8-6-2)28-15-17-11-12-27(19-9-10-22(29-4)20(25)14-19)24-23(17)21(28)13-16(3)26-24/h9-10,13-15,18H,5-8,11-12H2,1-4H3
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GlaxoSmithkline

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human recombinant CRF1 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 5218-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.077
BindingDB Entry DOI: 10.7270/Q2P55PS1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50084875
PNG
(8-(2,4-dichlorophenyl)-N-(1,3-dimethoxypropan-2-yl...)
Show SMILES COCC(COC)Nc1nc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(-3.04,-6.69,;-3.03,-8.23,;-4.37,-9,;-4.37,-10.54,;-3.03,-11.31,;-1.7,-10.54,;-1.7,-9.01,;-5.7,-11.31,;-5.7,-12.85,;-7.03,-13.63,;-7.03,-15.17,;-8.36,-15.94,;-5.7,-15.93,;-4.37,-15.17,;-2.91,-15.64,;-2,-14.4,;-.46,-14.4,;-2.91,-13.15,;-4.37,-13.63,;-2.18,-17.01,;-3.01,-18.3,;-2.29,-19.67,;-.75,-19.73,;-.03,-21.08,;.06,-18.41,;-.65,-17.05,;.16,-15.75,)|
Show InChI InChI=1S/C18H21Cl2N5O2/c1-10-16(14-6-5-12(19)7-15(14)20)17-21-11(2)22-18(25(17)24-10)23-13(8-26-3)9-27-4/h5-7,13H,8-9H2,1-4H3,(H,21,22,23)
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GlaxoSmithkline

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human recombinant CRF1 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 5218-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.077
BindingDB Entry DOI: 10.7270/Q2P55PS1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50423374
PNG
(CHEMBL251551)
Show SMILES CCC(COC)n1cc2CCN(c3ccc(cc3C)C#N)c3nc(C)cc1c23
Show InChI InChI=1S/C23H26N4O/c1-5-19(14-28-4)27-13-18-8-9-26(20-7-6-17(12-24)10-15(20)2)23-22(18)21(27)11-16(3)25-23/h6-7,10-11,13,19H,5,8-9,14H2,1-4H3
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GlaxoSmithkline

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human recombinant CRF1 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 5218-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.077
BindingDB Entry DOI: 10.7270/Q2P55PS1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50423381
PNG
(CHEMBL250996)
Show SMILES CCC(CC)n1cc2CCN(c3ccc(OC)c(F)c3)c3nc(C)cc1c23
Show InChI InChI=1S/C22H26FN3O/c1-5-16(6-2)26-13-15-9-10-25(17-7-8-20(27-4)18(23)12-17)22-21(15)19(26)11-14(3)24-22/h7-8,11-13,16H,5-6,9-10H2,1-4H3
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GlaxoSmithkline

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human recombinant CRF1 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 5218-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.077
BindingDB Entry DOI: 10.7270/Q2P55PS1
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50423371
PNG
(CHEMBL180025)
Show SMILES CCCC(CCC)n1cc2CCN(c3ccc(cc3C)C#N)c3nc(C)nc1c23
Show InChI InChI=1S/C24H29N5/c1-5-7-20(8-6-2)29-15-19-11-12-28(21-10-9-18(14-25)13-16(21)3)23-22(19)24(29)27-17(4)26-23/h9-10,13,15,20H,5-8,11-12H2,1-4H3
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GlaxoSmithkline

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human recombinant CRF1 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 5218-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.077
BindingDB Entry DOI: 10.7270/Q2P55PS1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50418607
PNG
(CHEMBL1784173)
Show SMILES CC(C)CNC(=O)c1ccc(nc1)-c1cc(cc(F)c1C)C(=O)NC1CC1
Show InChI InChI=1S/C21H24FN3O2/c1-12(2)10-24-20(26)14-4-7-19(23-11-14)17-8-15(9-18(22)13(17)3)21(27)25-16-5-6-16/h4,7-9,11-12,16H,5-6,10H2,1-3H3,(H,24,26)(H,25,27)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of p38alpha-dependent TNFalpha production in human whole blood preincubated for 1 hr before LPS challenge by ELISA


J Med Chem 52: 6257-69 (2009)


Article DOI: 10.1021/jm9004779
BindingDB Entry DOI: 10.7270/Q2J967NC
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50423386
PNG
(CHEMBL251344)
Show SMILES CCC(CC)n1cc2CCN(c3ccc(OC)cc3)c3nc(C)cc1c23
Show InChI InChI=1S/C22H27N3O/c1-5-17(6-2)25-14-16-11-12-24(18-7-9-19(26-4)10-8-18)22-21(16)20(25)13-15(3)23-22/h7-10,13-14,17H,5-6,11-12H2,1-4H3
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GlaxoSmithkline

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human recombinant CRF1 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 5218-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.077
BindingDB Entry DOI: 10.7270/Q2P55PS1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50418608
PNG
(CHEMBL1784174)
Show SMILES CC(C)[C@@H](C)NC(=O)c1ccc(nc1)-c1cc(cc(F)c1C)C(=O)NC1CC1 |r|
Show InChI InChI=1S/C22H26FN3O2/c1-12(2)14(4)25-21(27)15-5-8-20(24-11-15)18-9-16(10-19(23)13(18)3)22(28)26-17-6-7-17/h5,8-12,14,17H,6-7H2,1-4H3,(H,25,27)(H,26,28)/t14-/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of p38alpha-dependent TNFalpha production in human PBMC preincubated for 1 hr before LPS challenge by ELISA


J Med Chem 52: 6257-69 (2009)


Article DOI: 10.1021/jm9004779
BindingDB Entry DOI: 10.7270/Q2J967NC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50204434
PNG
(1-oxo-2,3,4,9-tetrahydro-1H-beta-carboline-6-carbo...)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc2[nH]c3c(CCNC3=O)c2c1 |THB:2:3:6:10.8.9,8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9|
Show InChI InChI=1S/C22H25N3O2/c26-20(25-22-9-12-5-13(10-22)7-14(6-12)11-22)15-1-2-18-17(8-15)16-3-4-23-21(27)19(16)24-18/h1-2,8,12-14,24H,3-7,9-11H2,(H,23,27)(H,25,26)
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GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as inhibition of intracellular calcium ion mobilization by FLIPR assay


Bioorg Med Chem Lett 17: 2254-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.055
BindingDB Entry DOI: 10.7270/Q2FT8KPZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50204429
PNG
(CHEMBL388669 | adamantane-1-carboxylic acid (1-oxo...)
Show SMILES O=C(Nc1ccc2[nH]c3c(CCNC3=O)c2c1)C12CC3CC(CC(C3)C1)C2 |TLB:20:21:25:19.24.18,THB:18:19:22:25.26.17,18:17:20.19.24:22,20:19:25:21.22.26|
Show InChI InChI=1S/C22H25N3O2/c26-20-19-16(3-4-23-20)17-8-15(1-2-18(17)25-19)24-21(27)22-9-12-5-13(10-22)7-14(6-12)11-22/h1-2,8,12-14,25H,3-7,9-11H2,(H,23,26)(H,24,27)
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GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as inhibition of intracellular calcium ion mobilization by FLIPR assay


Bioorg Med Chem Lett 17: 2254-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.055
BindingDB Entry DOI: 10.7270/Q2FT8KPZ
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor 1


(Homo sapiens (Human))
BDBM50423378
PNG
(CHEMBL250603)
Show SMILES CCC(CC)n1cc2CCN(c3ccc(OC(F)(F)F)cc3C)c3nc(C)cc1c23
Show InChI InChI=1S/C23H26F3N3O/c1-5-17(6-2)29-13-16-9-10-28(22-21(16)20(29)12-15(4)27-22)19-8-7-18(11-14(19)3)30-23(24,25)26/h7-8,11-13,17H,5-6,9-10H2,1-4H3
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GlaxoSmithkline

Curated by ChEMBL


Assay Description
Displacement of [125I]CRF from human recombinant CRF1 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 5218-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.077
BindingDB Entry DOI: 10.7270/Q2P55PS1
More data for this
Ligand-Target Pair
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