BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 107 hits with Last Name = 'aguilar' and Initial = 'n'   
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))
BDBM125994
PNG
(US8772288, 19)
Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C2(C)C)c1)C(=O)Nc1ccon1
Show InChI InChI=1S/C21H19N3O3/c1-12-4-5-14(19(25)23-18-8-9-27-24-18)10-15(12)13-6-7-16-17(11-13)22-20(26)21(16,2)3/h4-11H,1-3H3,(H,22,26)(H,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 0.0400n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...


US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50356004
PNG
(CHEMBL1911339)
Show SMILES Cc1ccc2c(NC3CC3)noc2c1-c1ccc2c(NC(=O)C22CCC(F)(F)CC2)c1
Show InChI InChI=1S/C24H23F2N3O2/c1-13-2-6-16-20(31-29-21(16)27-15-4-5-15)19(13)14-3-7-17-18(12-14)28-22(30)23(17)8-10-24(25,26)11-9-23/h2-3,6-7,12,15H,4-5,8-11H2,1H3,(H,27,29)(H,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0600n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50352566
PNG
(CHEMBL1825148 | US8772288, 23)
Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCOCC2)c1)C(=O)Nc1ccon1
Show InChI InChI=1S/C23H21N3O4/c1-14-2-3-16(21(27)25-20-6-9-30-26-20)12-17(14)15-4-5-18-19(13-15)24-22(28)23(18)7-10-29-11-8-23/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,24,28)(H,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

n/an/a 0.0600n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...


US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50356003
PNG
(CHEMBL1911338)
Show SMILES Cc1ccc2c(NC3CC3)noc2c1-c1ccc2c(NC(=O)C22CCOCC2)c1
Show InChI InChI=1S/C23H23N3O3/c1-13-2-6-16-20(29-26-21(16)24-15-4-5-15)19(13)14-3-7-17-18(12-14)25-22(27)23(17)8-10-28-11-9-23/h2-3,6-7,12,15H,4-5,8-11H2,1H3,(H,24,26)(H,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.160n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50348312
PNG
(CHEMBL1800222 | US8772288, 12)
Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCCC2)c1)C(=O)Nc1ccon1
Show InChI InChI=1S/C23H21N3O3/c1-14-4-5-16(21(27)25-20-8-11-29-26-20)12-17(14)15-6-7-18-19(13-15)24-22(28)23(18)9-2-3-10-23/h4-8,11-13H,2-3,9-10H2,1H3,(H,24,28)(H,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

n/an/a 0.200n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...


US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50356002
PNG
(CHEMBL1911337)
Show SMILES Cc1ccc2c(NC3CC3)noc2c1-c1ccc2c(NC(=O)C2(C)C)c1
Show InChI InChI=1S/C21H21N3O2/c1-11-4-8-14-18(26-24-19(14)22-13-6-7-13)17(11)12-5-9-15-16(10-12)23-20(25)21(15,2)3/h4-5,8-10,13H,6-7H2,1-3H3,(H,22,24)(H,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.400n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM125996
PNG
(US8772288, 37)
Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCC(C)(O)CC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C25H28N2O3/c1-15-3-4-17(22(28)26-18-6-7-18)13-19(15)16-5-8-20-21(14-16)27-23(29)25(20)11-9-24(2,30)10-12-25/h3-5,8,13-14,18,30H,6-7,9-12H2,1-2H3,(H,26,28)(H,27,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 0.800n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...


US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50352572
PNG
(CHEMBL1825157 | US8772288, 51)
Show SMILES Cc1ccc(cc1-c1cc2NC(=O)C3(CCCC3)c2cn1)C(=O)NC1CC1
Show InChI InChI=1S/C22H23N3O2/c1-13-4-5-14(20(26)24-15-6-7-15)10-16(13)18-11-19-17(12-23-18)22(21(27)25-19)8-2-3-9-22/h4-5,10-12,15H,2-3,6-9H2,1H3,(H,24,26)(H,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

n/an/a 0.800n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...


US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50355999
PNG
(CHEMBL1911334)
Show SMILES Cc1ccc2c(NC3CC3)noc2c1-c1ccc2c(NC(=O)C22CCCC2)c1
Show InChI InChI=1S/C23H23N3O2/c1-13-4-8-16-20(28-26-21(16)24-15-6-7-15)19(13)14-5-9-17-18(12-14)25-22(27)23(17)10-2-3-11-23/h4-5,8-9,12,15H,2-3,6-7,10-11H2,1H3,(H,24,26)(H,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.900n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50352569
PNG
(CHEMBL1825146 | US8772288, 31)
Show SMILES Cc1c(F)cc(cc1-c1ccc2c(NC(=O)C22CCN(CC2)S(C)(=O)=O)c1)C(=O)NC1CC1
Show InChI InChI=1S/C24H26FN3O4S/c1-14-18(11-16(12-20(14)25)22(29)26-17-4-5-17)15-3-6-19-21(13-15)27-23(30)24(19)7-9-28(10-8-24)33(2,31)32/h3,6,11-13,17H,4-5,7-10H2,1-2H3,(H,26,29)(H,27,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

n/an/a 1n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...


US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM125997
PNG
(US8772288, 40)
Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCC(CC2)N2CCOCC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C28H33N3O3/c1-18-2-3-20(26(32)29-21-5-6-21)16-23(18)19-4-7-24-25(17-19)30-27(33)28(24)10-8-22(9-11-28)31-12-14-34-15-13-31/h2-4,7,16-17,21-22H,5-6,8-15H2,1H3,(H,29,32)(H,30,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 1n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...


US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50348319
PNG
(CHEMBL1800916 | US8772288, 15)
Show SMILES Cc1c(F)cc(cc1-c1ccc2c(NC(=O)C22CCCC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C23H23FN2O2/c1-13-17(10-15(11-19(13)24)21(27)25-16-5-6-16)14-4-7-18-20(12-14)26-22(28)23(18)8-2-3-9-23/h4,7,10-12,16H,2-3,5-6,8-9H2,1H3,(H,25,27)(H,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

n/an/a 1.20n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...


US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50356007
PNG
(CHEMBL1911342)
Show SMILES Cc1ccc2c(N)noc2c1-c1ccc2c(NC(=O)C22CCC(F)(F)CC2)c1
Show InChI InChI=1S/C21H19F2N3O2/c1-11-2-4-13-17(28-26-18(13)24)16(11)12-3-5-14-15(10-12)25-19(27)20(14)6-8-21(22,23)9-7-20/h2-5,10H,6-9H2,1H3,(H2,24,26)(H,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50348310
PNG
(CHEMBL1800911 | US8772288, 1)
Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCCC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C23H24N2O2/c1-14-4-5-16(21(26)24-17-7-8-17)12-18(14)15-6-9-19-20(13-15)25-22(27)23(19)10-2-3-11-23/h4-6,9,12-13,17H,2-3,7-8,10-11H2,1H3,(H,24,26)(H,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
n/an/a 1.30n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...


US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50348324
PNG
(CHEMBL1800910 | US8772288, 3)
Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C22H22N2O2/c1-13-3-4-15(20(25)23-16-6-7-16)11-17(13)14-5-8-18-19(12-14)24-21(26)22(18)9-2-10-22/h3-5,8,11-12,16H,2,6-7,9-10H2,1H3,(H,23,25)(H,24,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

n/an/a 1.40n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...


US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM125995
PNG
(US8772288, 34)
Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCC(O)CC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C24H26N2O3/c1-14-2-3-16(22(28)25-17-5-6-17)12-19(14)15-4-7-20-21(13-15)26-23(29)24(20)10-8-18(27)9-11-24/h2-4,7,12-13,17-18,27H,5-6,8-11H2,1H3,(H,25,28)(H,26,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 1.40n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...


US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50352567
PNG
(CHEMBL1825147 | US8772288, 22)
Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCOCC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C23H24N2O3/c1-14-2-3-16(21(26)24-17-5-6-17)12-18(14)15-4-7-19-20(13-15)25-22(27)23(19)8-10-28-11-9-23/h2-4,7,12-13,17H,5-6,8-11H2,1H3,(H,24,26)(H,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

n/an/a 1.40n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...


US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50352574
PNG
(CHEMBL1825153 | US8772288, 32)
Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCC(F)(F)CC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C24H24F2N2O2/c1-14-2-3-16(21(29)27-17-5-6-17)12-18(14)15-4-7-19-20(13-15)28-22(30)23(19)8-10-24(25,26)11-9-23/h2-4,7,12-13,17H,5-6,8-11H2,1H3,(H,27,29)(H,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

n/an/a 1.80n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...


US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50355997
PNG
(CHEMBL1911332 | US8772288, 63)
Show SMILES Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCC(F)(F)CC2)c1
Show InChI InChI=1S/C23H22F2N4O/c1-13-3-4-16(20-26-14(2)28-29-20)11-17(13)15-5-6-18-19(12-15)27-21(30)22(18)7-9-23(24,25)10-8-22/h3-6,11-12H,7-10H2,1-2H3,(H,27,30)(H,26,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50355997
PNG
(CHEMBL1911332 | US8772288, 63)
Show SMILES Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCC(F)(F)CC2)c1
Show InChI InChI=1S/C23H22F2N4O/c1-13-3-4-16(20-26-14(2)28-29-20)11-17(13)15-5-6-18-19(12-15)27-21(30)22(18)7-9-23(24,25)10-8-22/h3-6,11-12H,7-10H2,1-2H3,(H,27,30)(H,26,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

n/an/a 2n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...


US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50356001
PNG
(CHEMBL1911336)
Show SMILES Clc1cc2c(NC(=O)C22CCCC2)cc1-c1cccc2c(NC3CC3)noc12
Show InChI InChI=1S/C22H20ClN3O2/c23-17-11-16-18(25-21(27)22(16)8-1-2-9-22)10-15(17)13-4-3-5-14-19(13)28-26-20(14)24-12-6-7-12/h3-5,10-12H,1-2,6-9H2,(H,24,26)(H,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50355998
PNG
(CHEMBL1911333 | US8772288, 67)
Show SMILES Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCN(CC2)S(C)(=O)=O)c1
Show InChI InChI=1S/C23H25N5O3S/c1-14-4-5-17(21-24-15(2)26-27-21)12-18(14)16-6-7-19-20(13-16)25-22(29)23(19)8-10-28(11-9-23)32(3,30)31/h4-7,12-13H,8-11H2,1-3H3,(H,25,29)(H,24,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 4.70n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50355998
PNG
(CHEMBL1911333 | US8772288, 67)
Show SMILES Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCN(CC2)S(C)(=O)=O)c1
Show InChI InChI=1S/C23H25N5O3S/c1-14-4-5-17(21-24-15(2)26-27-21)12-18(14)16-6-7-19-20(13-16)25-22(29)23(19)8-10-28(11-9-23)32(3,30)31/h4-7,12-13H,8-11H2,1-3H3,(H,25,29)(H,24,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

n/an/a 4.70n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...


US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50356006
PNG
(CHEMBL1911341)
Show SMILES Cc1ccc2c(N)noc2c1-c1ccc2c(NC(=O)C22CCOCC2)c1
Show InChI InChI=1S/C20H19N3O3/c1-11-2-4-13-17(26-23-18(13)21)16(11)12-3-5-14-15(10-12)22-19(24)20(14)6-8-25-9-7-20/h2-5,10H,6-9H2,1H3,(H2,21,23)(H,22,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50352577
PNG
(CHEMBL1825145 | US8772288, 29)
Show SMILES CN1CCC2(CC1)C(=O)Nc1cc(ccc21)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C24H27N3O2/c1-15-3-4-17(22(28)25-18-6-7-18)13-19(15)16-5-8-20-21(14-16)26-23(29)24(20)9-11-27(2)12-10-24/h3-5,8,13-14,18H,6-7,9-12H2,1-2H3,(H,25,28)(H,26,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

n/an/a 5.20n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...


US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50352576
PNG
(CHEMBL1825156 | US8772288, 43)
Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCCC2)n1)C(=O)NC1CC1
Show InChI InChI=1S/C22H23N3O2/c1-13-4-5-14(20(26)23-15-6-7-15)12-16(13)18-9-8-17-19(24-18)25-21(27)22(17)10-2-3-11-22/h4-5,8-9,12,15H,2-3,6-7,10-11H2,1H3,(H,23,26)(H,24,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

n/an/a 5.60n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...


US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM126001
PNG
(US8772288, 72)
Show SMILES Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCC(F)(F)CC2)c1
Show InChI InChI=1S/C23H21F2N3O2/c1-13-3-4-16(20-28-27-14(2)30-20)11-17(13)15-5-6-18-19(12-15)26-21(29)22(18)7-9-23(24,25)10-8-22/h3-6,11-12H,7-10H2,1-2H3,(H,26,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 5.60n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...


US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM126002
PNG
(US8772288, 73)
Show SMILES Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCC(O)CC2)c1
Show InChI InChI=1S/C23H23N3O3/c1-13-3-4-16(21-26-25-14(2)29-21)11-18(13)15-5-6-19-20(12-15)24-22(28)23(19)9-7-17(27)8-10-23/h3-6,11-12,17,27H,7-10H2,1-2H3,(H,24,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 5.70n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...


US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50348313
PNG
(CHEMBL1800221 | US8772288, 11)
Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCCC2)c1)C(=O)Nc1ccccn1
Show InChI InChI=1S/C25H23N3O2/c1-16-7-8-18(23(29)28-22-6-2-5-13-26-22)14-19(16)17-9-10-20-21(15-17)27-24(30)25(20)11-3-4-12-25/h2,5-10,13-15H,3-4,11-12H2,1H3,(H,27,30)(H,26,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

n/an/a 6.30n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...


US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50352579
PNG
(CHEMBL1825150 | US8772288, 27)
Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCS(=O)(=O)CC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C23H24N2O4S/c1-14-2-3-16(21(26)24-17-5-6-17)12-18(14)15-4-7-19-20(13-15)25-22(27)23(19)8-10-30(28,29)11-9-23/h2-4,7,12-13,17H,5-6,8-11H2,1H3,(H,24,26)(H,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

n/an/a 6.70n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...


US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50355989
PNG
(CHEMBL1911193 | US8772288, 53)
Show SMILES Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCCC2)c1
Show InChI InChI=1S/C22H22N4O/c1-13-5-6-16(20-23-14(2)25-26-20)11-17(13)15-7-8-18-19(12-15)24-21(27)22(18)9-3-4-10-22/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,24,27)(H,23,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.40n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50355989
PNG
(CHEMBL1911193 | US8772288, 53)
Show SMILES Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCCC2)c1
Show InChI InChI=1S/C22H22N4O/c1-13-5-6-16(20-23-14(2)25-26-20)11-17(13)15-7-8-18-19(12-15)24-21(27)22(18)9-3-4-10-22/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,24,27)(H,23,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

n/an/a 7.5n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...


US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50355990
PNG
(CHEMBL1911194 | US8772288, 59)
Show SMILES Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCOCC2)c1
Show InChI InChI=1S/C22H22N4O2/c1-13-3-4-16(20-23-14(2)25-26-20)11-17(13)15-5-6-18-19(12-15)24-21(27)22(18)7-9-28-10-8-22/h3-6,11-12H,7-10H2,1-2H3,(H,24,27)(H,23,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.60n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM125999
PNG
(US8772288, 61)
Show SMILES Cc1nnc([nH]1)-c1cc(F)c(C)c(c1)-c1ccc2c(NC(=O)C22CCOCC2)c1
Show InChI InChI=1S/C22H21FN4O2/c1-12-16(9-15(10-18(12)23)20-24-13(2)26-27-20)14-3-4-17-19(11-14)25-21(28)22(17)5-7-29-8-6-22/h3-4,9-11H,5-8H2,1-2H3,(H,25,28)(H,24,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 8n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...


US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM126000
PNG
(US8772288, 65)
Show SMILES Cc1nnc([nH]1)-c1cc(F)c(C)c(c1)-c1ccc2c(NC(=O)C22CCC(C)(O)CC2)c1
Show InChI InChI=1S/C24H25FN4O2/c1-13-17(10-16(11-19(13)25)21-26-14(2)28-29-21)15-4-5-18-20(12-15)27-22(30)24(18)8-6-23(3,31)7-9-24/h4-5,10-12,31H,6-9H2,1-3H3,(H,27,30)(H,26,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 8n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...


US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50348318
PNG
(CHEMBL1800917 | US8772288, 6)
Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCCC2)c1)C(N)=O
Show InChI InChI=1S/C20H20N2O2/c1-12-4-5-14(18(21)23)10-15(12)13-6-7-16-17(11-13)22-19(24)20(16)8-2-3-9-20/h4-7,10-11H,2-3,8-9H2,1H3,(H2,21,23)(H,22,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

n/an/a 8.5n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...


US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM125998
PNG
(US8772288, 55)
Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCCC2)c1)-c1ncn[nH]1
Show InChI InChI=1S/C21H20N4O/c1-13-4-5-15(19-22-12-23-25-19)10-16(13)14-6-7-17-18(11-14)24-20(26)21(17)8-2-3-9-21/h4-7,10-12H,2-3,8-9H2,1H3,(H,24,26)(H,22,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 9n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...


US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50355993
PNG
(CHEMBL1911197)
Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCCC2)c1)-c1nnc[nH]1
Show InChI InChI=1S/C21H20N4O/c1-13-4-5-15(19-22-12-23-25-19)10-16(13)14-6-7-17-18(11-14)24-20(26)21(17)8-2-3-9-21/h4-7,10-12H,2-3,8-9H2,1H3,(H,24,26)(H,22,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50355990
PNG
(CHEMBL1911194 | US8772288, 59)
Show SMILES Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCOCC2)c1
Show InChI InChI=1S/C22H22N4O2/c1-13-3-4-16(20-23-14(2)25-26-20)11-17(13)15-5-6-18-19(12-15)24-21(27)22(18)7-9-28-10-8-22/h3-6,11-12H,7-10H2,1-2H3,(H,24,27)(H,23,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

n/an/a 10n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...


US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50348314
PNG
(CHEMBL1800220 | US8772288, 8)
Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCCC2)c1)C(=O)NC1CCC1
Show InChI InChI=1S/C24H26N2O2/c1-15-7-8-17(22(27)25-18-5-4-6-18)13-19(15)16-9-10-20-21(14-16)26-23(28)24(20)11-2-3-12-24/h7-10,13-14,18H,2-6,11-12H2,1H3,(H,25,27)(H,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

n/an/a 10n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...


US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50352580
PNG
(CHEMBL1825159 | US8772288, 47)
Show SMILES Cc1ccc(cc1-c1cnc2c(NC(=O)C22CCOCC2)c1)C(=O)NC1CC1
Show InChI InChI=1S/C22H23N3O3/c1-13-2-3-14(20(26)24-16-4-5-16)10-17(13)15-11-18-19(23-12-15)22(21(27)25-18)6-8-28-9-7-22/h2-3,10-12,16H,4-9H2,1H3,(H,24,26)(H,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

n/an/a 13n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...


US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50355995
PNG
(CHEMBL1909657 | US8772288, 54)
Show SMILES Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCC2)c1
Show InChI InChI=1S/C21H20N4O/c1-12-4-5-15(19-22-13(2)24-25-19)10-16(12)14-6-7-17-18(11-14)23-20(26)21(17)8-3-9-21/h4-7,10-11H,3,8-9H2,1-2H3,(H,23,26)(H,22,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

n/an/a 18n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...


US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50355995
PNG
(CHEMBL1909657 | US8772288, 54)
Show SMILES Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCC2)c1
Show InChI InChI=1S/C21H20N4O/c1-12-4-5-15(19-22-13(2)24-25-19)10-16(12)14-6-7-17-18(11-14)23-20(26)21(17)8-3-9-21/h4-7,10-11H,3,8-9H2,1-2H3,(H,23,26)(H,22,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50348316
PNG
(CHEMBL1800919 | US8772288, 4)
Show SMILES CC(C)NC(=O)c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCCC2)c1
Show InChI InChI=1S/C23H26N2O2/c1-14(2)24-21(26)17-7-6-15(3)18(12-17)16-8-9-19-20(13-16)25-22(27)23(19)10-4-5-11-23/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,24,26)(H,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

n/an/a 20n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...


US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM125993
PNG
(US8772288, 18)
Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C2(C)C)c1)C(=O)NCC1CC1
Show InChI InChI=1S/C22H24N2O2/c1-13-4-7-16(20(25)23-12-14-5-6-14)10-17(13)15-8-9-18-19(11-15)24-21(26)22(18,2)3/h4,7-11,14H,5-6,12H2,1-3H3,(H,23,25)(H,24,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 27n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...


US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50355986
PNG
(CHEMBL1911190 | US8772288, 70)
Show SMILES Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCCC2)c1
Show InChI InChI=1S/C22H21N3O2/c1-13-5-6-16(20-25-24-14(2)27-20)11-17(13)15-7-8-18-19(12-15)23-21(26)22(18)9-3-4-10-22/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,23,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50355986
PNG
(CHEMBL1911190 | US8772288, 70)
Show SMILES Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCCC2)c1
Show InChI InChI=1S/C22H21N3O2/c1-13-5-6-16(20-25-24-14(2)27-20)11-17(13)15-7-8-18-19(12-15)23-21(26)22(18)9-3-4-10-22/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,23,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

n/an/a 32n/an/an/an/a7.525



Almirall, S.A.

US Patent


Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...


US Patent US8772288 (2014)


BindingDB Entry DOI: 10.7270/Q2T152BM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50356008
PNG
(CHEMBL1911344)
Show SMILES Cc1ccn2c(N)nnc2c1-c1ccc2c(NC(=O)C22CCCC2)c1
Show InChI InChI=1S/C19H19N5O/c1-11-6-9-24-16(22-23-18(24)20)15(11)12-4-5-13-14(10-12)21-17(25)19(13)7-2-3-8-19/h4-6,9-10H,2-3,7-8H2,1H3,(H2,20,23)(H,21,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50356005
PNG
(CHEMBL1911340)
Show SMILES Cc1ccc2c(N)noc2c1-c1ccc2c(NC(=O)C2(C)C)c1
Show InChI InChI=1S/C18H17N3O2/c1-9-4-6-11-15(23-21-16(11)19)14(9)10-5-7-12-13(8-10)20-17(22)18(12,2)3/h4-8H,1-3H3,(H2,19,21)(H,20,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50356000
PNG
(CHEMBL1911335)
Show SMILES O=C1Nc2cc(ccc2C11CCCC1)-c1cccc2c(NC3CC3)noc12
Show InChI InChI=1S/C22H21N3O2/c26-21-22(10-1-2-11-22)17-9-6-13(12-18(17)24-21)15-4-3-5-16-19(15)27-25-20(16)23-14-7-8-14/h3-6,9,12,14H,1-2,7-8,10-11H2,(H,23,25)(H,24,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay


Bioorg Med Chem Lett 21: 6253-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.006
BindingDB Entry DOI: 10.7270/Q25B02W3
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 107 total )  |  Next  |  Last  >>
Jump to: