BDBM50399031 CHEMBL2178257::US8637526, 250

SMILES Nc1ccn2ncc(C(=O)Nc3conc3-c3cccc(Cl)c3)c2n1

InChI Key InChIKey=LVTOASRSQVQBSU-UHFFFAOYSA-N

Data  5 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50399031   

TargetCytochrome P450 1A2(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50399031(CHEMBL2178257 | US8637526, 250)
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of CYP1A2More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetTyrosine-protein kinase JAK2(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50399031(CHEMBL2178257 | US8637526, 250)
Affinity DataKi:  1.80nMAssay Description:Inhibition of purified JAK2 incubated for 30 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetTyrosine-protein kinase JAK2(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50399031(CHEMBL2178257 | US8637526, 250)
Affinity DataKi:  2nM ΔG°:  -11.7kcal/molepH: 7.2 T: 2°CAssay Description:To determine the inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 kinase reactions containing 0.2 nM purified JAK2 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2014
Entry Details
Go to US Patent

TargetTyrosine-protein kinase JAK1(Human)
Genentech

US Patent
LigandPNGBDBM50399031(CHEMBL2178257 | US8637526, 250)
Affinity DataKi:  28.4nMpH: 7.2Assay Description:To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 1.5 nM JAK1, 0.2 nM pu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2014
Entry Details
Go to US Patent

TargetNon-receptor tyrosine-protein kinase TYK2(Human)
Genentech

US Patent
LigandPNGBDBM50399031(CHEMBL2178257 | US8637526, 250)
Affinity DataKi:  36.1nMpH: 7.2Assay Description:To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 1.5 nM JAK1, 0.2 nM pu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2014
Entry Details
Go to US Patent

TargetTyrosine-protein kinase JAK3(Human)
Genentech

US Patent
LigandPNGBDBM50399031(CHEMBL2178257 | US8637526, 250)
Affinity DataKi:  55.6nM ΔG°:  -9.79kcal/molepH: 7.2 T: 2°CAssay Description:To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 5 nM purified JAK3 enz...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2014
Entry Details
Go to US Patent