null

SMILES CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1[C@@H]1C[C@H]2CC[C@@H]1C2

InChI Key InChIKey=IQHKHGHDPGFXAV-MISXGVKJSA-N

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50402074   

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

Curated by ChEMBL
LigandPNGBDBM50402074(CHEMBL2206059 | US10112907, Example 00024 | US1076...)copy SMILEScopy InChI
Affinity DataKi:  0.200nMAssay Description:Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50402074(CHEMBL2206059 | US10112907, Example 00024 | US1076...)copy SMILEScopy InChI
Affinity DataKi:  3.20nMAssay Description:Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50402074(CHEMBL2206059 | US10112907, Example 00024 | US1076...)copy SMILEScopy InChI
Affinity DataKi:  3.20nMAssay Description:Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th...More data for this Ligand-Target Pair
TargetCytochrome P450 2C9(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50402074(CHEMBL2206059 | US10112907, Example 00024 | US1076...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P55PPPPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50402074(CHEMBL2206059 | US10112907, Example 00024 | US1076...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P55PPPPubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50402074(CHEMBL2206059 | US10112907, Example 00024 | US1076...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP1A2More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P55PPPPubMed
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50402074(CHEMBL2206059 | US10112907, Example 00024 | US1076...)copy SMILEScopy InChI
Affinity DataEC50:  13nMAssay Description:Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins prior to IL6-induction measur...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50402074(CHEMBL2206059 | US10112907, Example 00024 | US1076...)copy SMILEScopy InChI
Affinity DataEC50:  355nMAssay Description:Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins prior to IL6-induction measur...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50402074(CHEMBL2206059 | US10112907, Example 00024 | US1076...)copy SMILEScopy InChI
Affinity DataEC50:  355nMAssay Description:Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins prior to IL6-induction measur...More data for this Ligand-Target Pair
TargetCytochrome P450 2C19(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50402074(CHEMBL2206059 | US10112907, Example 00024 | US1076...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C19More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P55PPPPubMed
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50402074(CHEMBL2206059 | US10112907, Example 00024 | US1076...)copy SMILEScopy InChI
Affinity DataEC50:  118nMAssay Description:Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins prior to IL6-induction measur...More data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50402074(CHEMBL2206059 | US10112907, Example 00024 | US1076...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P55PPPPubMed