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PDB code 2BAK

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits 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
Mitogen-activated protein kinase 14

  (359/359 = 100%)
(Homo sapiens (Human))
BDBM50153859
PNG
(CHEMBL184659 | N-(3-{[7-METHOXY-6-(2-PYRROLIDIN-1-...)
Show SMILES COc1cc2ncnc(Nc3cc(NC(=O)c4ccnc(c4)N4CCOCC4)ccc3C)c2cc1OCCN1CCCC1
Show InChI InChI=1S/C32H37N7O4/c1-22-5-6-24(36-32(40)23-7-8-33-30(17-23)39-12-14-42-15-13-39)18-26(22)37-31-25-19-29(43-16-11-38-9-3-4-10-38)28(41-2)20-27(25)34-21-35-31/h5-8,17-21H,3-4,9-16H2,1-2H3,(H,36,40)(H,34,35,37)
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B.MOAD
DrugBank
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CHEMBL
MMDB
PC cid
PC sid
PDB
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Similars

PDB
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory concentration against alpha mitogen activated protein kinase p38 activity


Bioorg Med Chem Lett 14: 5389-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.007
BindingDB Entry DOI: 10.7270/Q24Q7TGZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14

  (359/359 = 100%)
(Homo sapiens (Human))
BDBM50153859
PNG
(CHEMBL184659 | N-(3-{[7-METHOXY-6-(2-PYRROLIDIN-1-...)
Show SMILES COc1cc2ncnc(Nc3cc(NC(=O)c4ccnc(c4)N4CCOCC4)ccc3C)c2cc1OCCN1CCCC1
Show InChI InChI=1S/C32H37N7O4/c1-22-5-6-24(36-32(40)23-7-8-33-30(17-23)39-12-14-42-15-13-39)18-26(22)37-31-25-19-29(43-16-11-38-9-3-4-10-38)28(41-2)20-27(25)34-21-35-31/h5-8,17-21H,3-4,9-16H2,1-2H3,(H,36,40)(H,34,35,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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

Similars

PDB
Article
PubMed
n/an/a 39n/an/an/an/an/an/a



Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of p38alpha kinase


Nat Chem Biol 2: 358-64 (2006)


Article DOI: 10.1038/nchembio799
BindingDB Entry DOI: 10.7270/Q2CC10WV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output