BDBM50434789 CHEMBL2386633

SMILES C[C@H](c1nc2cnc3c(c2n1C4CCC(CC4)C#N)cc[nH]3)O

InChI Key InChIKey=ANDWOIMHOOWCLK-UHFFFAOYSA-N

Data  2 KI  4 IC50  2 EC50

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50434789   

TargetTyrosine-protein kinase JAK1(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50434789(CHEMBL2386633)
Affinity DataEC50:  130nMAssay Description:Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase JAK1(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50434789(CHEMBL2386633)
Affinity DataEC50:  120nMAssay Description:Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins followed by IL6 challenge for...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 1A2(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50434789(CHEMBL2386633)
Affinity DataIC50: 1.00E+4nMAssay Description:Reversible inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50434789(CHEMBL2386633)
Affinity DataIC50: 1.00E+4nMAssay Description:Reversible inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50434789(CHEMBL2386633)
Affinity DataIC50: 1.00E+4nMAssay Description:Reversible inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50434789(CHEMBL2386633)
Affinity DataIC50: 1.00E+4nMAssay Description:Reversible inhibition of CYP2C9 in human liver microsomes using warfarin as substrate by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetTyrosine-protein kinase JAK1(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50434789(CHEMBL2386633)
Affinity DataKi:  1.90nMAssay Description:Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase JAK3(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50434789(CHEMBL2386633)
Affinity DataKi:  280nMAssay Description:Inhibition of JAK3 (unknown origin) using Leu-Pro-Leu-Asp-Lys-Asp-Tyr-Tyr-Val-Val-Arg as substrate after 30 mins in presence of ATPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed