BDBM50434797 CHEMBL2386653

SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CCCOC1

InChI Key InChIKey=VSKQOMHTMYZRLK-ZJUUUORDSA-N

Data  3 KI  5 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50434797   

TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50434797(CHEMBL2386653)
Affinity DataKi:  2.80nMAssay 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 DepthDetails ArticlePubMed
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50434797(CHEMBL2386653)
Affinity DataKi:  2.90nMAssay Description:Inhibition of human GST-tagged TAF1 BD2 (1519 to 1651 residues) expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 preincubated for 15 mins followed ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50434797(CHEMBL2386653)
Affinity DataKi:  110nMAssay 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 DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50434797(CHEMBL2386653)
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 DepthDetails ArticlePubMed
LigandPNGBDBM50434797(CHEMBL2386653)
Affinity DataIC50:  210nMAssay Description:Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50434797(CHEMBL2386653)
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 DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50434797(CHEMBL2386653)
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 DepthDetails ArticlePubMed
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50434797(CHEMBL2386653)
Affinity DataEC50:  110nMAssay 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 DepthDetails ArticlePubMed
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50434797(CHEMBL2386653)
Affinity DataEC50:  180nMAssay 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 DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50434797(CHEMBL2386653)
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 DepthDetails ArticlePubMed