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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK3' and Ligand = 'BDBM316794'   
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 JAK3


(Homo sapiens (Human))
BDBM316794
PNG
(2-{[(3R,4R)-1-acryloyl-3-fluoropiperidin-4-yl]amin...)
Show SMILES CC(C)NC(=O)c1c[nH]c2ncc(N[C@@H]3CCN(C[C@H]3F)C(=O)C=C)nc12 |r|
PDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.200n/an/an/an/an/an/a


TBA

Assay Description
JAK Caliper Enzyme Assay at 4 μM: Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29026XR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM316794
PNG
(2-{[(3R,4R)-1-acryloyl-3-fluoropiperidin-4-yl]amin...)
Show SMILES CC(C)NC(=O)c1c[nH]c2ncc(N[C@@H]3CCN(C[C@H]3F)C(=O)C=C)nc12 |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.200n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZWG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM316794
PNG
(2-{[(3R,4R)-1-acryloyl-3-fluoropiperidin-4-yl]amin...)
Show SMILES CC(C)NC(=O)c1c[nH]c2ncc(N[C@@H]3CCN(C[C@H]3F)C(=O)C=C)nc12 |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9.20n/an/an/an/an/an/a


TBA

Assay Description
JAK Caliper Enzyme Assay at 1 mM ATP: Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half l...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29026XR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM316794
PNG
(2-{[(3R,4R)-1-acryloyl-3-fluoropiperidin-4-yl]amin...)
Show SMILES CC(C)NC(=O)c1c[nH]c2ncc(N[C@@H]3CCN(C[C@H]3F)C(=O)C=C)nc12 |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9.20n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4ZWG
More data for this
Ligand-Target Pair