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PDB code 3HV5

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))
BDBM50303594
PNG
(1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(3-(6...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc(Nc2ccnc3ccc(cc23)[N+]([O-])=O)c1)C(C)(C)C
Show InChI InChI=1S/C30H29N7O3/c1-19-8-10-22(11-9-19)36-28(18-27(35-36)30(2,3)4)34-29(38)33-21-7-5-6-20(16-21)32-26-14-15-31-25-13-12-23(37(39)40)17-24(25)26/h5-18H,1-4H3,(H,31,32)(H2,33,34,38)
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PC cid
PC sid
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Similars

PDB
Article
PubMed
n/an/a 95n/an/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Displacemnt of N,N'-(2,2'-(3,3'-disulfanediylbis(2,5-dioxopyrrolidine-3,1-diyl))bis(ethane-2,1-diyl))bis(2-(3-(3-tert-butyl-5-(3-naphthalen-1-ylureid...


J Med Chem 53: 357-67 (2010)


Article DOI: 10.1021/jm901297e
BindingDB Entry DOI: 10.7270/Q29W0FKC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14

  (359/359 = 100%)
(Homo sapiens (Human))
BDBM50303594
PNG
(1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(3-(6...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc(Nc2ccnc3ccc(cc23)[N+]([O-])=O)c1)C(C)(C)C
Show InChI InChI=1S/C30H29N7O3/c1-19-8-10-22(11-9-19)36-28(18-27(35-36)30(2,3)4)34-29(38)33-21-7-5-6-20(16-21)32-26-14-15-31-25-13-12-23(37(39)40)17-24(25)26/h5-18H,1-4H3,(H,31,32)(H2,33,34,38)
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 150n/an/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Inhibition of p38alpha active form expressed in Escherichia coli BL21(DE3) cells by HTRF assay


J Med Chem 53: 357-67 (2010)


Article DOI: 10.1021/jm901297e
BindingDB Entry DOI: 10.7270/Q29W0FKC
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