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BDBM21492 4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline::CHEMBL261454::LY364947::US9138393, LY-364947::US9144538, LY-364947

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

InChI Key: InChIKey=IBCXZJCWDGCXQT-UHFFFAOYSA-N

Data: 16 IC50  2 Kd  1 EC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 21492   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
TGF-beta receptor type-1 T204D


(Homo sapiens (Human))
BDBM21492
PNG
(4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline | CH...)
Show SMILES c1[nH]nc(c1-c1ccnc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C17H12N4/c1-2-6-15-13(5-1)12(8-10-19-15)14-11-20-21-17(14)16-7-3-4-9-18-16/h1-11H,(H,20,21)
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n/an/a 59n/a 40n/an/a7.530



Lilly Research Laboratories



Assay 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...


J Med Chem 51: 2302-2306 (2008)


Article DOI: 10.1021/jm701199p
BindingDB Entry DOI: 10.7270/Q2G15Z4K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM21492
PNG
(4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline | CH...)
Show SMILES c1[nH]nc(c1-c1ccnc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C17H12N4/c1-2-6-15-13(5-1)12(8-10-19-15)14-11-20-21-17(14)16-7-3-4-9-18-16/h1-11H,(H,20,21)
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n/an/a 40n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TGFBR1


J Med Chem 55: 9946-57 (2012)


Article DOI: 10.1021/jm301144g
BindingDB Entry DOI: 10.7270/Q2DF6SCJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM21492
PNG
(4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline | CH...)
Show SMILES c1[nH]nc(c1-c1ccnc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C17H12N4/c1-2-6-15-13(5-1)12(8-10-19-15)14-11-20-21-17(14)16-7-3-4-9-18-16/h1-11H,(H,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



The Procter & Gamble Company

US Patent


Assay 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 ...


US Patent US9144538 (2015)


BindingDB Entry DOI: 10.7270/Q22806DV
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM21492
PNG
(4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline | CH...)
Show SMILES c1[nH]nc(c1-c1ccnc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C17H12N4/c1-2-6-15-13(5-1)12(8-10-19-15)14-11-20-21-17(14)16-7-3-4-9-18-16/h1-11H,(H,20,21)
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n/an/an/a 5n/an/an/an/an/a



Biogen Inc

Curated by ChEMBL


Assay Description
Dissociation constant for TGF-beta receptor type I


Bioorg Med Chem Lett 13: 4355-9 (2003)


BindingDB Entry DOI: 10.7270/Q29886FH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM21492
PNG
(4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline | CH...)
Show SMILES c1[nH]nc(c1-c1ccnc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C17H12N4/c1-2-6-15-13(5-1)12(8-10-19-15)14-11-20-21-17(14)16-7-3-4-9-18-16/h1-11H,(H,20,21)
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n/an/a 2.70E+4n/an/an/an/an/an/a



Biogen Inc

Curated by ChEMBL


Assay Description
Inhibition of Transforming growth factor beta-1 receptor (TbetaRI) autophosphorylation


Bioorg Med Chem Lett 13: 4355-9 (2003)


BindingDB Entry DOI: 10.7270/Q29886FH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM21492
PNG
(4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline | CH...)
Show SMILES c1[nH]nc(c1-c1ccnc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C17H12N4/c1-2-6-15-13(5-1)12(8-10-19-15)14-11-20-21-17(14)16-7-3-4-9-18-16/h1-11H,(H,20,21)
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n/an/a 40n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of TGFbeta R1 induced transcriptional activation of p3TP-Lux in mink Mv1Lu lung cells


J Med Chem 49: 2138-42 (2006)


Article DOI: 10.1021/jm058209g
BindingDB Entry DOI: 10.7270/Q2V40TS0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mixed lineage kinase 7


(Homo sapiens (Human))
BDBM21492
PNG
(4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline | CH...)
Show SMILES c1[nH]nc(c1-c1ccnc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C17H12N4/c1-2-6-15-13(5-1)12(8-10-19-15)14-11-20-21-17(14)16-7-3-4-9-18-16/h1-11H,(H,20,21)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of MLK7


J Med Chem 49: 2138-42 (2006)


Article DOI: 10.1021/jm058209g
BindingDB Entry DOI: 10.7270/Q2V40TS0
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM21492
PNG
(4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline | CH...)
Show SMILES c1[nH]nc(c1-c1ccnc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C17H12N4/c1-2-6-15-13(5-1)12(8-10-19-15)14-11-20-21-17(14)16-7-3-4-9-18-16/h1-11H,(H,20,21)
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n/an/a 47n/an/an/an/an/an/a



The Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of transforming growth factor- beta dependent luciferase production in mink lung cells (p3TP Lux)


J Med Chem 46: 3953-6 (2003)


Article DOI: 10.1021/jm0205705
BindingDB Entry DOI: 10.7270/Q2RV0N38
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM21492
PNG
(4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline | CH...)
Show SMILES c1[nH]nc(c1-c1ccnc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C17H12N4/c1-2-6-15-13(5-1)12(8-10-19-15)14-11-20-21-17(14)16-7-3-4-9-18-16/h1-11H,(H,20,21)
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n/an/a 740n/an/an/an/an/an/a



The Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Mitogen-activated protein kinase p38


J Med Chem 46: 3953-6 (2003)


Article DOI: 10.1021/jm0205705
BindingDB Entry DOI: 10.7270/Q2RV0N38
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM21492
PNG
(4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline | CH...)
Show SMILES c1[nH]nc(c1-c1ccnc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C17H12N4/c1-2-6-15-13(5-1)12(8-10-19-15)14-11-20-21-17(14)16-7-3-4-9-18-16/h1-11H,(H,20,21)
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n/an/a 51n/an/an/an/an/an/a



The Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Transforming growth factor (TGF) beta-1 receptor (T204D mutation) autophosphorylation in Sf9 cells


J Med Chem 46: 3953-6 (2003)


Article DOI: 10.1021/jm0205705
BindingDB Entry DOI: 10.7270/Q2RV0N38
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM21492
PNG
(4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline | CH...)
Show SMILES c1[nH]nc(c1-c1ccnc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C17H12N4/c1-2-6-15-13(5-1)12(8-10-19-15)14-11-20-21-17(14)16-7-3-4-9-18-16/h1-11H,(H,20,21)
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n/an/a 89n/an/an/an/an/an/a



The Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of transforming growth factor- beta dependent luciferase growth in mouse fibroblasts (NIH 3T3)


J Med Chem 46: 3953-6 (2003)


Article DOI: 10.1021/jm0205705
BindingDB Entry DOI: 10.7270/Q2RV0N38
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM21492
PNG
(4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline | CH...)
Show SMILES c1[nH]nc(c1-c1ccnc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C17H12N4/c1-2-6-15-13(5-1)12(8-10-19-15)14-11-20-21-17(14)16-7-3-4-9-18-16/h1-11H,(H,20,21)
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n/an/a 5.10E+4n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory activity against Mitogen-activated protein kinase p38


Bioorg Med Chem Lett 14: 3585-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.065
BindingDB Entry DOI: 10.7270/Q23R0SCK
More data for this
Ligand-Target Pair
TGF-beta receptor type II


(Homo sapiens (Human))
BDBM21492
PNG
(4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline | CH...)
Show SMILES c1[nH]nc(c1-c1ccnc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C17H12N4/c1-2-6-15-13(5-1)12(8-10-19-15)14-11-20-21-17(14)16-7-3-4-9-18-16/h1-11H,(H,20,21)
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n/an/a 400n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TGFbeta R2 expressed in Sf9 cells


J Med Chem 49: 2138-42 (2006)


Article DOI: 10.1021/jm058209g
BindingDB Entry DOI: 10.7270/Q2V40TS0
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM21492
PNG
(4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline | CH...)
Show SMILES c1[nH]nc(c1-c1ccnc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C17H12N4/c1-2-6-15-13(5-1)12(8-10-19-15)14-11-20-21-17(14)16-7-3-4-9-18-16/h1-11H,(H,20,21)
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n/an/a 59n/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TGFbeta R1 expressed in Sf9 cells


J Med Chem 49: 2138-42 (2006)


Article DOI: 10.1021/jm058209g
BindingDB Entry DOI: 10.7270/Q2V40TS0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))
BDBM21492
PNG
(4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline | CH...)
Show SMILES c1[nH]nc(c1-c1ccnc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C17H12N4/c1-2-6-15-13(5-1)12(8-10-19-15)14-11-20-21-17(14)16-7-3-4-9-18-16/h1-11H,(H,20,21)
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n/an/an/a 1.87E+3n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human ARG


J Med Chem 51: 7898-914 (2008)


Article DOI: 10.1021/jm8011036
BindingDB Entry DOI: 10.7270/Q2WS8T4C
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM21492
PNG
(4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline | CH...)
Show SMILES c1[nH]nc(c1-c1ccnc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C17H12N4/c1-2-6-15-13(5-1)12(8-10-19-15)14-11-20-21-17(14)16-7-3-4-9-18-16/h1-11H,(H,20,21)
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n/an/a 27n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of TGFBR1


J Med Chem 51: 7898-914 (2008)


Article DOI: 10.1021/jm8011036
BindingDB Entry DOI: 10.7270/Q2WS8T4C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM21492
PNG
(4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline | CH...)
Show SMILES c1[nH]nc(c1-c1ccnc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C17H12N4/c1-2-6-15-13(5-1)12(8-10-19-15)14-11-20-21-17(14)16-7-3-4-9-18-16/h1-11H,(H,20,21)
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n/an/a 51n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of TGFR1


Eur J Med Chem 44: 4259-65 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM21492
PNG
(4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]quinoline | CH...)
Show SMILES c1[nH]nc(c1-c1ccnc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C17H12N4/c1-2-6-15-13(5-1)12(8-10-19-15)14-11-20-21-17(14)16-7-3-4-9-18-16/h1-11H,(H,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



The Procter & Gamble Company

US Patent


Assay Description
A commercially available P450-GLO Assay kit (Promega Corporation, Madison Wis.) is used to screen various compounds for CYP3A4A inhibition activity. ...


US Patent US9138393 (2015)


BindingDB Entry DOI: 10.7270/Q2GF0S8J
More data for this
Ligand-Target Pair