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BDBM50304847 2-(1,2-dimethyl-3-oxo-5-(quinoxalin-6-yl)-2,3-dihydro-1H-pyrazol-4-yl)benzonitrile::CHEMBL603853

SMILES: Cn1c(c(-c2ccccc2C#N)c(=O)n1C)-c1ccc2nccnc2c1

InChI Key: InChIKey=HHDZHVFMSRZDLT-UHFFFAOYSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50304847   
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 I


(Homo sapiens (Human))
BDBM50304847
PNG
(2-(1,2-dimethyl-3-oxo-5-(quinoxalin-6-yl)-2,3-dihy...)
Show SMILES Cn1c(c(-c2ccccc2C#N)c(=O)n1C)-c1ccc2nccnc2c1 |(.9,-4.47,;.27,-3.07,;-1.24,-2.75,;-1.4,-1.22,;-2.74,-.45,;-4.08,-1.22,;-5.41,-.45,;-5.41,1.1,;-4.08,1.87,;-2.74,1.1,;-1.41,1.88,;-.08,2.65,;0,-.59,;.32,.92,;1.04,-1.73,;2.57,-1.57,;-2.56,-3.54,;-3.9,-2.79,;-5.22,-3.58,;-5.19,-5.12,;-6.51,-5.92,;-6.48,-7.46,;-5.13,-8.2,;-3.81,-7.41,;-3.84,-5.87,;-2.53,-5.08,)|
Show InChI InChI=1S/C20H15N5O/c1-24-19(13-7-8-16-17(11-13)23-10-9-22-16)18(20(26)25(24)2)15-6-4-3-5-14(15)12-21/h3-11H,1-2H3
PDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.50E+5n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50304847
PNG
(2-(1,2-dimethyl-3-oxo-5-(quinoxalin-6-yl)-2,3-dihy...)
Show SMILES Cn1c(c(-c2ccccc2C#N)c(=O)n1C)-c1ccc2nccnc2c1 |(.9,-4.47,;.27,-3.07,;-1.24,-2.75,;-1.4,-1.22,;-2.74,-.45,;-4.08,-1.22,;-5.41,-.45,;-5.41,1.1,;-4.08,1.87,;-2.74,1.1,;-1.41,1.88,;-.08,2.65,;0,-.59,;.32,.92,;1.04,-1.73,;2.57,-1.57,;-2.56,-3.54,;-3.9,-2.79,;-5.22,-3.58,;-5.19,-5.12,;-6.51,-5.92,;-6.48,-7.46,;-5.13,-8.2,;-3.81,-7.41,;-3.84,-5.87,;-2.53,-5.08,)|
Show InChI InChI=1S/C20H15N5O/c1-24-19(13-7-8-16-17(11-13)23-10-9-22-16)18(20(26)25(24)2)15-6-4-3-5-14(15)12-21/h3-11H,1-2H3
PDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Inhibition of TGFR-1 in human HepG2 cells expressing PAI-luciferase by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 326-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.108
More data for this
Ligand-Target Pair