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4 similar compounds to monomer 50420766

Compile data set for download or QSAR
Wt: 404.4
BDBM50363315
Wt: 420.8
BDBM50420767
Wt: 403.8
BDBM50420768
Wt: 421.8
BDBM50420769

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50363315,50420767,50420768,50420769   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50363315
PNG
(CHEMBL1945591)
Show SMILES Cc1ccc(cc1-c1ccn2c(nnc2c1)-c1c(F)cccc1F)C(=O)NC1CC1
Show InChI InChI=1S/C23H18F2N4O/c1-13-5-6-15(23(30)26-16-7-8-16)11-17(13)14-9-10-29-20(12-14)27-28-22(29)21-18(24)3-2-4-19(21)25/h2-6,9-12,16H,7-8H2,1H3,(H,26,30)
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Article
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n/an/a 2.5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of P38alpha


Bioorg Med Chem Lett 22: 1226-9 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.067
BindingDB Entry DOI: 10.7270/Q2PZ598P
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13 (MAPK13)


(Homo sapiens (Human))
BDBM50420769
PNG
(CHEMBL2087515)
Show SMILES Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)-c1ccncc1Cl)C(=O)NC1CC1
Show InChI InChI=1S/C22H17ClFN5O/c1-12-17(8-14(9-19(12)24)22(30)26-15-2-3-15)13-5-7-29-20(10-13)27-28-21(29)16-4-6-25-11-18(16)23/h4-11,15H,2-3H2,1H3,(H,26,30)
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n/an/a 0.830n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13 (MAPK13)


(Homo sapiens (Human))
BDBM50420768
PNG
(CHEMBL2087514)
Show SMILES Cc1ccc(cc1-c1ccn2c(nnc2c1)-c1ccncc1Cl)C(=O)NC1CC1
Show InChI InChI=1S/C22H18ClN5O/c1-13-2-3-15(22(29)25-16-4-5-16)10-18(13)14-7-9-28-20(11-14)26-27-21(28)17-6-8-24-12-19(17)23/h2-3,6-12,16H,4-5H2,1H3,(H,25,29)
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n/an/a 38n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13 (MAPK13)


(Homo sapiens (Human))
BDBM50420767
PNG
(CHEMBL2087513)
Show SMILES Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)-c1ccccc1Cl)C(=O)NC1CC1
Show InChI InChI=1S/C23H18ClFN4O/c1-13-18(10-15(11-20(13)25)23(30)26-16-6-7-16)14-8-9-29-21(12-14)27-28-22(29)17-4-2-3-5-19(17)24/h2-5,8-12,16H,6-7H2,1H3,(H,26,30)
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n/an/a 1.60n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 22: 3431-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.099
BindingDB Entry DOI: 10.7270/Q2348MNX
More data for this
Ligand-Target Pair