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SMILES c1[nH]nc(c1-c1ccnc2ccccc12)-c1ccccn1

InChI Key InChIKey=IBCXZJCWDGCXQT-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

  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 20 hits for monomerid = 21492   

TargetTGF-beta receptor type-1 [4-503,T204D](Homo sapiens (Human))
Lilly Research Laboratories

LigandPNGBDBM21492(4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline | CH...)copy SMILEScopy InChI
Affinity DataIC50: 59nM EC50:  40nMpH: 7.5 T: 2°CAssay Description:The kinase activity was assayed by the autophosphorylation reaction of ALK5 (T204D) in the presence of 4 uM ATP and [33P]-gamma-ATP. After incubation...More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))TBA
LigandPNGBDBM21492(4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline | CH...)copy SMILEScopy InChI
Affinity DataIC50: 740nMMore data for this Ligand-Target Pair
In DepthDetails
TargetCytochrome P450 3A4(Homo sapiens (Human))
The Procter & Gamble Company

US Patent
LigandPNGBDBM21492(4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline | CH...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Cytochrome P450 is a large and diverse group of enzymes that catalyze the oxidation of organic substances. Some members of the CYP family contribute ...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q22806DVUS Patent
TargetTGF-beta receptor type-1(Homo sapiens (Human))
Biogen Inc

Curated by ChEMBL
LigandPNGBDBM21492(4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline | CH...)copy SMILEScopy InChI
Affinity DataKd:  5nMAssay Description:Dissociation constant for TGF-beta receptor type IMore data for this Ligand-Target Pair
TargetTGF-beta receptor type-1(Homo sapiens (Human))
Biogen Inc

Curated by ChEMBL
LigandPNGBDBM21492(4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline | CH...)copy SMILEScopy InChI
Affinity DataIC50: 2.70E+4nMAssay Description:Inhibition of Transforming growth factor beta-1 receptor (TbetaRI) autophosphorylationMore data for this Ligand-Target Pair
TargetTGF-beta receptor type-1(Homo sapiens (Human))
Biogen Inc

Curated by ChEMBL
LigandPNGBDBM21492(4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline | CH...)copy SMILEScopy InChI
Affinity DataIC50: 40nMAssay Description:Inhibition of TGFbeta R1 induced transcriptional activation of p3TP-Lux in mink Mv1Lu lung cellsMore data for this Ligand-Target Pair
TargetMitogen-activated protein kinase kinase kinase 20(Homo sapiens (Human))
Lilly Research Laboratory

Curated by ChEMBL
LigandPNGBDBM21492(4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline | CH...)copy SMILEScopy InChI
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of MLK7More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V40TS0PubMed
TargetTGF-beta receptor type-1(Homo sapiens (Human))
Biogen Inc

Curated by ChEMBL
LigandPNGBDBM21492(4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline | CH...)copy SMILEScopy InChI
Affinity DataIC50: 47nMAssay Description:In vitro inhibition of transforming growth factor- beta dependent luciferase production in mink lung cells (p3TP Lux)More data for this Ligand-Target Pair
TargetTGF-beta receptor type-1(Homo sapiens (Human))
Biogen Inc

Curated by ChEMBL
LigandPNGBDBM21492(4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline | CH...)copy SMILEScopy InChI
Affinity DataIC50: 740nMAssay Description:In vitro inhibitory activity against Mitogen-activated protein kinase p38More data for this Ligand-Target Pair
TargetTGF-beta receptor type-1(Homo sapiens (Human))
Biogen Inc

Curated by ChEMBL
LigandPNGBDBM21492(4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline | CH...)copy SMILEScopy InChI
Affinity DataIC50: 51nMAssay Description:Inhibition of human Transforming growth factor (TGF) beta-1 receptor (T204D mutation) autophosphorylation in Sf9 cellsMore data for this Ligand-Target Pair
TargetTGF-beta receptor type-1(Homo sapiens (Human))
Biogen Inc

Curated by ChEMBL
LigandPNGBDBM21492(4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline | CH...)copy SMILEScopy InChI
Affinity DataIC50: 89nMAssay Description:In vitro inhibition of transforming growth factor- beta dependent luciferase growth in mouse fibroblasts (NIH 3T3)More data for this Ligand-Target Pair
TargetMitogen-activated protein kinase 14(Homo sapiens (Human))TBA
LigandPNGBDBM21492(4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline | CH...)copy SMILEScopy InChI
Affinity DataIC50: 5.10E+4nMAssay Description:Inhibitory activity against Mitogen-activated protein kinase p38More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23R0SCKPubMed
TargetTGF-beta receptor type-2(Homo sapiens (Human))
Lilly Research Laboratory

Curated by ChEMBL
LigandPNGBDBM21492(4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline | CH...)copy SMILEScopy InChI
Affinity DataIC50: 400nMAssay Description:Inhibition of recombinant human TGFbeta R2 expressed in Sf9 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2V40TS0PubMed
TargetTGF-beta receptor type-1(Homo sapiens (Human))
Biogen Inc

Curated by ChEMBL
LigandPNGBDBM21492(4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline | CH...)copy SMILEScopy InChI
Affinity DataIC50: 59nMAssay Description:Inhibition of recombinant human TGFbeta R1 expressed in Sf9 cellsMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase ABL2(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM21492(4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline | CH...)copy SMILEScopy InChI
Affinity DataKd:  1.87E+3nMAssay Description:Binding affinity to human ARGMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WS8T4CPubMed
TargetTGF-beta receptor type-1(Homo sapiens (Human))
Biogen Inc

Curated by ChEMBL
LigandPNGBDBM21492(4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline | CH...)copy SMILEScopy InChI
Affinity DataIC50: 27nMAssay Description:Inhibition of TGFBR1More data for this Ligand-Target Pair
TargetTGF-beta receptor type-1(Homo sapiens (Human))
Biogen Inc

Curated by ChEMBL
LigandPNGBDBM21492(4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline | CH...)copy SMILEScopy InChI
Affinity DataIC50: 51nMAssay Description:Inhibition of TGFR1More data for this Ligand-Target Pair
TargetTGF-beta receptor type-1(Homo sapiens (Human))
Biogen Inc

Curated by ChEMBL
LigandPNGBDBM21492(4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline | CH...)copy SMILEScopy InChI
Affinity DataIC50: 40nMAssay Description:Inhibition of TGFBR1More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase receptor R3(Homo sapiens (Human))TBA
LigandPNGBDBM21492(4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline | CH...)copy SMILEScopy InChI
Affinity DataIC50: 51nMMore data for this Ligand-Target Pair
In DepthDetails
TargetCytochrome P450 3A4(Homo sapiens (Human))
The Procter & Gamble Company

US Patent
LigandPNGBDBM21492(4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline | CH...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:A commercially available P450-GLO Assay kit (Promega Corporation, Madison Wis.) is used to screen various compounds for CYP3A4A inhibition activity. ...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2GF0S8JUS Patent