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12 similar compounds to monomer 50420739

Compile data set for download or QSAR
Wt: 367.4
BDBM50420743
Wt: 366.4
BDBM50420756
Wt: 334.4
BDBM50420757
Wt: 352.4
BDBM50420758
Wt: 332.3
BDBM50420759
Wt: 346.4
BDBM50420760
Wt: 364.4
BDBM50420761
Wt: 346.4
BDBM50420762
Wt: 376.4
BDBM50420764
Wt: 350.4
BDBM50420770
Wt: 360.3
BDBM50420772
Wt: 350.3
BDBM50420773

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50420743,50420756,50420757,50420758,50420759,50420760,50420761,50420762,50420764,50420770,50420772,50420773   
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 13 (MAPK13)


(Homo sapiens (Human))
BDBM50420743
PNG
(CHEMBL2087521)
Show SMILES Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)C(C)(C)N)C(=O)NC1CC1
Show InChI InChI=1S/C20H22FN5O/c1-11-15(8-13(9-16(11)21)18(27)23-14-4-5-14)12-6-7-26-17(10-12)24-25-19(26)20(2,3)22/h6-10,14H,4-5,22H2,1-3H3,(H,23,27)
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n/an/a 15.4n/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))
BDBM50420756
PNG
(CHEMBL2087501)
Show SMILES Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)C(C)(C)C)C(=O)NC1CC1
Show InChI InChI=1S/C21H23FN4O/c1-12-16(9-14(10-17(12)22)19(27)23-15-5-6-15)13-7-8-26-18(11-13)24-25-20(26)21(2,3)4/h7-11,15H,5-6H2,1-4H3,(H,23,27)
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n/an/a 2n/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))
BDBM50420757
PNG
(CHEMBL2087502)
Show SMILES CC(C)c1nnc2cc(ccn12)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C20H22N4O/c1-12(2)19-23-22-18-11-14(8-9-24(18)19)17-10-15(5-4-13(17)3)20(25)21-16-6-7-16/h4-5,8-12,16H,6-7H2,1-3H3,(H,21,25)
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n/an/a 27n/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))
BDBM50420758
PNG
(CHEMBL2087503)
Show SMILES CC(C)c1nnc2cc(ccn12)-c1cc(cc(F)c1C)C(=O)NC1CC1
Show InChI InChI=1S/C20H21FN4O/c1-11(2)19-24-23-18-10-13(6-7-25(18)19)16-8-14(9-17(21)12(16)3)20(26)22-15-4-5-15/h6-11,15H,4-5H2,1-3H3,(H,22,26)
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n/an/a 3n/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))
BDBM50420759
PNG
(CHEMBL2087504)
Show SMILES Cc1ccc(cc1-c1ccn2c(nnc2c1)C1CC1)C(=O)NC1CC1
Show InChI InChI=1S/C20H20N4O/c1-12-2-3-15(20(25)21-16-6-7-16)10-17(12)14-8-9-24-18(11-14)22-23-19(24)13-4-5-13/h2-3,8-11,13,16H,4-7H2,1H3,(H,21,25)
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n/an/a 26n/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))
BDBM50420773
PNG
(CHEMBL2087505)
Show SMILES Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)C1CC1)C(=O)NC1CC1
Show InChI InChI=1S/C20H19FN4O/c1-11-16(8-14(9-17(11)21)20(26)22-15-4-5-15)13-6-7-25-18(10-13)23-24-19(25)12-2-3-12/h6-10,12,15H,2-5H2,1H3,(H,22,26)
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n/an/a 6.70n/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))
BDBM50420761
PNG
(CHEMBL2087507)
Show SMILES Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)C1(C)CC1)C(=O)NC1CC1
Show InChI InChI=1S/C21H21FN4O/c1-12-16(9-14(10-17(12)22)19(27)23-15-3-4-15)13-5-8-26-18(11-13)24-25-20(26)21(2)6-7-21/h5,8-11,15H,3-4,6-7H2,1-2H3,(H,23,27)
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n/an/a 0.640n/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))
BDBM50420762
PNG
(CHEMBL2087508)
Show SMILES Cc1ccc(cc1-c1ccn2c(nnc2c1)C1CCC1)C(=O)NC1CC1
Show InChI InChI=1S/C21H22N4O/c1-13-5-6-16(21(26)22-17-7-8-17)11-18(13)15-9-10-25-19(12-15)23-24-20(25)14-3-2-4-14/h5-6,9-12,14,17H,2-4,7-8H2,1H3,(H,22,26)
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n/an/a 20n/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))
BDBM50420764
PNG
(CHEMBL2087510)
Show SMILES Cc1ccc(cc1-c1ccn2c(nnc2c1)C1CCOCC1)C(=O)NC1CC1
Show InChI InChI=1S/C22H24N4O2/c1-14-2-3-17(22(27)23-18-4-5-18)12-19(14)16-6-9-26-20(13-16)24-25-21(26)15-7-10-28-11-8-15/h2-3,6,9,12-13,15,18H,4-5,7-8,10-11H2,1H3,(H,23,27)
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n/an/a 56n/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))
BDBM50420770
PNG
(CHEMBL2087516)
Show SMILES COC(C)c1nnc2cc(ccn12)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C20H22N4O2/c1-12-4-5-15(20(25)21-16-6-7-16)10-17(12)14-8-9-24-18(11-14)22-23-19(24)13(2)26-3/h4-5,8-11,13,16H,6-7H2,1-3H3,(H,21,25)
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n/an/a 43n/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))
BDBM50420772
PNG
(CHEMBL2087518)
Show SMILES Cc1ccc(cc1-c1ccn2c(nnc2c1)C(F)(F)F)C(=O)NC1CC1
Show InChI InChI=1S/C18H15F3N4O/c1-10-2-3-12(16(26)22-13-4-5-13)8-14(10)11-6-7-25-15(9-11)23-24-17(25)18(19,20)21/h2-3,6-9,13H,4-5H2,1H3,(H,22,26)
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n/an/a 853n/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))
BDBM50420760
PNG
(CHEMBL2087506)
Show SMILES Cc1ccc(cc1-c1ccn2c(nnc2c1)C1(C)CC1)C(=O)NC1CC1
Show InChI InChI=1S/C21H22N4O/c1-13-3-4-15(19(26)22-16-5-6-16)11-17(13)14-7-10-25-18(12-14)23-24-20(25)21(2)8-9-21/h3-4,7,10-12,16H,5-6,8-9H2,1-2H3,(H,22,26)
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n/an/a 12n/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