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Compile Data Set for Download or QSAR

Found 4 hits from Aventis Pharma, Dagenham Research Centre, Essex, UK.   
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


(Mus musculus)
BDBM50219254
PNG
(CHEMBL347592)
Show SMILES C[C@@]1(CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCc2ccccc2)n1)-c1ccc(F)cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C30H31FN6O4/c1-30(28(38)37-13-15-39-16-14-37)18-40-27(41-19-30)26-35-24(21-7-9-22(31)10-8-21)25(36-26)23-11-12-32-29(34-23)33-17-20-5-3-2-4-6-20/h2-12,27H,13-19H2,1H3,(H,35,36)(H,32,33,34)/t27-,30-
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PC cid
PC sid
UniChem

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



Aventis Pharma, Dagenham Research Centre, Essex, UK.

Curated by ChEMBL


Assay Description
Inhibition of murine Mitogen-activated protein kinase p38


Bioorg Med Chem Lett 11: 693-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00034-8
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Mus musculus)
BDBM50219252
PNG
(CHEMBL159932)
Show SMILES COCCCNc1nccc(n1)-c1[nH]c(nc1-c1ccc(F)cc1)[C@H]1OC[C@@](C)(CO1)C(=O)N1CCOCC1
Show InChI InChI=1S/C27H33FN6O5/c1-27(25(35)34-11-14-37-15-12-34)16-38-24(39-17-27)23-32-21(18-4-6-19(28)7-5-18)22(33-23)20-8-10-30-26(31-20)29-9-3-13-36-2/h4-8,10,24H,3,9,11-17H2,1-2H3,(H,32,33)(H,29,30,31)/t24-,27-
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PC sid
UniChem

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Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Aventis Pharma, Dagenham Research Centre, Essex, UK.

Curated by ChEMBL


Assay Description
Inhibition of murine Mitogen-activated protein kinase p38


Bioorg Med Chem Lett 11: 693-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00034-8
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 13


(Mus musculus)
BDBM50219253
PNG
(CHEMBL161197)
Show SMILES C[C@@]1(CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NC2CC2)n1)-c1ccc(F)cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C26H29FN6O4/c1-26(24(34)33-10-12-35-13-11-33)14-36-23(37-15-26)22-31-20(16-2-4-17(27)5-3-16)21(32-22)19-8-9-28-25(30-19)29-18-6-7-18/h2-5,8-9,18,23H,6-7,10-15H2,1H3,(H,31,32)(H,28,29,30)/t23-,26-
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PC cid
PC sid
UniChem

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



Aventis Pharma, Dagenham Research Centre, Essex, UK.

Curated by ChEMBL


Assay Description
Inhibition of murine Mitogen-activated protein kinase p38


Bioorg Med Chem Lett 11: 693-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00034-8
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus-Mus musculus (mouse))
BDBM50219251
PNG
(CHEMBL423071)
Show SMILES C[C@@]1(CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(Nc2ccccc2)n1)-c1ccc(F)cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C29H29FN6O4/c1-29(27(37)36-13-15-38-16-14-36)17-39-26(40-18-29)25-34-23(19-7-9-20(30)10-8-19)24(35-25)22-11-12-31-28(33-22)32-21-5-3-2-4-6-21/h2-12,26H,13-18H2,1H3,(H,34,35)(H,31,32,33)/t26-,29-
PDB
MMDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Aventis Pharma, Dagenham Research Centre, Essex, UK.

Curated by ChEMBL


Assay Description
Inhibitory activity against p38 kinase (40 ng/well) was determined in mouse


Bioorg Med Chem Lett 11: 693-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00034-8
More data for this
Ligand-Target Pair