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BDBM50304874 4-(benzo[b]thiophen-3-yl)-1,2-dimethyl-5-(quinoxalin-6-yl)-1H-pyrazol-3(2H)-one::CHEMBL603642

SMILES: Cn1c(c(-c2csc3ccccc23)c(=O)n1C)-c1ccc2nccnc2c1

InChI Key: InChIKey=KRMXJJBZSSTINN-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50304874   
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))
BDBM50304874
PNG
(4-(benzo[b]thiophen-3-yl)-1,2-dimethyl-5-(quinoxal...)
Show SMILES Cn1c(c(-c2csc3ccccc23)c(=O)n1C)-c1ccc2nccnc2c1 |(1.19,-27.99,;-.28,-28.46,;-.76,-29.93,;-2.31,-29.93,;-3.09,-31.25,;-2.47,-32.65,;-3.62,-33.67,;-4.95,-32.89,;-6.41,-33.35,;-7.54,-32.32,;-7.21,-30.81,;-5.74,-30.35,;-4.61,-31.39,;-2.78,-28.46,;-4.25,-27.98,;-1.54,-27.55,;-1.54,-26.01,;.14,-31.17,;-.49,-32.58,;.41,-33.83,;1.95,-33.67,;2.85,-34.91,;4.39,-34.75,;5.01,-33.33,;4.1,-32.09,;2.58,-32.26,;1.67,-31.01,)|
Show InChI InChI=1S/C21H16N4OS/c1-24-20(13-7-8-16-17(11-13)23-10-9-22-16)19(21(26)25(24)2)15-12-27-18-6-4-3-5-14(15)18/h3-12H,1-2H3
PDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.87E+3n/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