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PDB code 3HRB

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))
BDBM31619
PNG
(Aminopyridine N-oxide, 45)
Show SMILES Cc1ccccc1-c1c(N)c(cc[n+]1[O-])C(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C19H14F2N2O2/c1-11-4-2-3-5-13(11)18-17(22)15(8-9-23(18)25)19(24)14-7-6-12(20)10-16(14)21/h2-10H,22H2,1H3
PDB
MMDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase


J Med Chem 54: 7899-910 (2011)


Article DOI: 10.1021/jm200975u
BindingDB Entry DOI: 10.7270/Q2MW2HKR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14

  (359/359 = 100%)
(Homo sapiens (Human))
BDBM31619
PNG
(Aminopyridine N-oxide, 45)
Show SMILES Cc1ccccc1-c1c(N)c(cc[n+]1[O-])C(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C19H14F2N2O2/c1-11-4-2-3-5-13(11)18-17(22)15(8-9-23(18)25)19(24)14-7-6-12(20)10-16(14)21/h2-10H,22H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 21n/an/an/an/a7.525



Almirall, S.A.



Assay Description
Enzymatic activity assay was performed in 96-well microtiter plates. Various concentrations of the test compound or vehicle controls were preincubate...


J Med Chem 52: 5531-45 (2009)


Article DOI: 10.1021/jm9008604
BindingDB Entry DOI: 10.7270/Q25719B5
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