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PDB code 3FV8

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
c-Jun N-terminal kinase, JNK

  (328/364 = 90%)
(Homo sapiens (Human))
BDBM32460
PNG
(piperazine amide, 4g)
Show SMILES Clc1cccc(NC(=O)c2ccc(Br)o2)c1N1CCN(CC#C)CC1
Show InChI InChI=1S/C18H17BrClN3O2/c1-2-8-22-9-11-23(12-10-22)17-13(20)4-3-5-14(17)21-18(24)15-6-7-16(19)25-15/h1,3-7H,8-12H2,(H,21,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
n/an/a 140n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled a...


Bioorg Med Chem Lett 19: 3344-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.086
BindingDB Entry DOI: 10.7270/Q2ST7N67
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-Activated Protein Kinase 10 (JNK3)

  (350/355 = 99%)
(Homo sapiens (Human))
BDBM32460
PNG
(piperazine amide, 4g)
Show SMILES Clc1cccc(NC(=O)c2ccc(Br)o2)c1N1CCN(CC#C)CC1
Show InChI InChI=1S/C18H17BrClN3O2/c1-2-8-22-9-11-23(12-10-22)17-13(20)4-3-5-14(17)21-18(24)15-6-7-16(19)25-15/h1,3-7H,8-12H2,(H,21,24)
PDB
MMDB

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

Similars

PDB
Article
PubMed
n/an/a 160n/an/an/an/a7.022



The Scripps Research Institute



Assay Description
Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled a...


Bioorg Med Chem Lett 19: 3344-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.086
BindingDB Entry DOI: 10.7270/Q2ST7N67
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