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PubMed code 21888439

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
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
Misshapen-like kinase 1


(Homo sapiens (Human))
BDBM50361467
PNG
(CHEMBL1938400)
Show SMILES CC(C)(C)c1cc(NC(=O)NCc2ccccc2Sc2ccc3nnc(-c4ccccc4SCCO)n3c2)n(n1)-c1ccc(O)c(Cl)c1
Show InChI InChI=1S/C35H34ClN7O3S2/c1-35(2,3)30-19-32(43(41-30)23-12-14-27(45)26(36)18-23)38-34(46)37-20-22-8-4-6-10-28(22)48-24-13-15-31-39-40-33(42(31)21-24)25-9-5-7-11-29(25)47-17-16-44/h4-15,18-19,21,44-45H,16-17,20H2,1-3H3,(H2,37,38,46)
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PubMed
n/an/a 6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MINK


J Med Chem 54: 7797-814 (2011)


Article DOI: 10.1021/jm200677b
BindingDB Entry DOI: 10.7270/Q2HX1D4Q
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50361467
PNG
(CHEMBL1938400)
Show SMILES CC(C)(C)c1cc(NC(=O)NCc2ccccc2Sc2ccc3nnc(-c4ccccc4SCCO)n3c2)n(n1)-c1ccc(O)c(Cl)c1
Show InChI InChI=1S/C35H34ClN7O3S2/c1-35(2,3)30-19-32(43(41-30)23-12-14-27(45)26(36)18-23)38-34(46)37-20-22-8-4-6-10-28(22)48-24-13-15-31-39-40-33(42(31)21-24)25-9-5-7-11-29(25)47-17-16-44/h4-15,18-19,21,44-45H,16-17,20H2,1-3H3,(H2,37,38,46)
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n/an/a 23n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38beta MAPK


J Med Chem 54: 7797-814 (2011)


Article DOI: 10.1021/jm200677b
BindingDB Entry DOI: 10.7270/Q2HX1D4Q
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50361467
PNG
(CHEMBL1938400)
Show SMILES CC(C)(C)c1cc(NC(=O)NCc2ccccc2Sc2ccc3nnc(-c4ccccc4SCCO)n3c2)n(n1)-c1ccc(O)c(Cl)c1
Show InChI InChI=1S/C35H34ClN7O3S2/c1-35(2,3)30-19-32(43(41-30)23-12-14-27(45)26(36)18-23)38-34(46)37-20-22-8-4-6-10-28(22)48-24-13-15-31-39-40-33(42(31)21-24)25-9-5-7-11-29(25)47-17-16-44/h4-15,18-19,21,44-45H,16-17,20H2,1-3H3,(H2,37,38,46)
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n/an/a 890n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR1


J Med Chem 54: 7797-814 (2011)


Article DOI: 10.1021/jm200677b
BindingDB Entry DOI: 10.7270/Q2HX1D4Q
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50361467
PNG
(CHEMBL1938400)
Show SMILES CC(C)(C)c1cc(NC(=O)NCc2ccccc2Sc2ccc3nnc(-c4ccccc4SCCO)n3c2)n(n1)-c1ccc(O)c(Cl)c1
Show InChI InChI=1S/C35H34ClN7O3S2/c1-35(2,3)30-19-32(43(41-30)23-12-14-27(45)26(36)18-23)38-34(46)37-20-22-8-4-6-10-28(22)48-24-13-15-31-39-40-33(42(31)21-24)25-9-5-7-11-29(25)47-17-16-44/h4-15,18-19,21,44-45H,16-17,20H2,1-3H3,(H2,37,38,46)
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n/an/an/a 0.00100n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human p38alpha MAPK by surface plasmon resonance method


J Med Chem 54: 7797-814 (2011)


Article DOI: 10.1021/jm200677b
BindingDB Entry DOI: 10.7270/Q2HX1D4Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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Similars

DrugBank
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Article
PubMed
n/an/an/a 1n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to p38alpha MAPK by surface plasmon resonance method


J Med Chem 54: 7797-814 (2011)


Article DOI: 10.1021/jm200677b
BindingDB Entry DOI: 10.7270/Q2HX1D4Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50361469
PNG
(CHEMBL1938764)
Show SMILES CCNC(=O)NCc1ccccc1Sc1ccc2nnc(C(C)C)n2c1
Show InChI InChI=1S/C19H23N5OS/c1-4-20-19(25)21-11-14-7-5-6-8-16(14)26-15-9-10-17-22-23-18(13(2)3)24(17)12-15/h5-10,12-13H,4,11H2,1-3H3,(H2,20,21,25)
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n/an/an/a 3.30n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to p38alpha MAPK by surface plasmon resonance method


J Med Chem 54: 7797-814 (2011)


Article DOI: 10.1021/jm200677b
BindingDB Entry DOI: 10.7270/Q2HX1D4Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50361468
PNG
(CHEMBL1938736)
Show SMILES CC(C)c1nnc2ccc(Sc3ccccc3CNC(=O)Nc3cc(nn3-c3ccccc3)C(C)(C)C)cn12
Show InChI InChI=1S/C30H33N7OS/c1-20(2)28-34-33-26-16-15-23(19-36(26)28)39-24-14-10-9-11-21(24)18-31-29(38)32-27-17-25(30(3,4)5)35-37(27)22-12-7-6-8-13-22/h6-17,19-20H,18H2,1-5H3,(H2,31,32,38)
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n/an/an/a 0.400n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to p38alpha MAPK by surface plasmon resonance method


J Med Chem 54: 7797-814 (2011)


Article DOI: 10.1021/jm200677b
BindingDB Entry DOI: 10.7270/Q2HX1D4Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%