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PDB code 4GL9

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
Tyrosine-protein kinase JAK2

  (286/297 = 96%)
(Homo sapiens (Human))
BDBM50109821
PNG
(CHEBI:87103 | CHEMBL21156)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1cc[nH]c(=O)c1c1cc(F)ccc21
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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PC cid
PC sid
PDB
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Similars

PDB
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using 35 uM of ATP and Tyr6 peptide by Z'-LYTE kinase assay


J Med Chem 58: 7596-602 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01263
BindingDB Entry DOI: 10.7270/Q2H70HND
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2

  (286/297 = 96%)
(Homo sapiens (Human))
BDBM50109821
PNG
(CHEBI:87103 | CHEMBL21156)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1cc[nH]c(=O)c1c1cc(F)ccc21
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
PDB

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UniProtKB/SwissProt

B.MOAD
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CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using 1 mM of ATP and Tyr6 peptide by Z'-LYTE kinase assay


J Med Chem 58: 7596-602 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01263
BindingDB Entry DOI: 10.7270/Q2H70HND
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