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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'TGF-beta receptor type I' and Ligand = 'BDBM50255957'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50255957
PNG
(1-(4-(5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(5-...)
Show SMILES CC(=O)N1CCN(CC1)c1nc(c([nH]1)-c1ccc2ncnn2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C21H21FN8O/c1-13-16(22)4-5-17(25-13)20-19(15-3-6-18-23-12-24-30(18)11-15)26-21(27-20)29-9-7-28(8-10-29)14(2)31/h3-6,11-12H,7-10H2,1-2H3,(H,26,27)
PDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
15.2n/an/an/an/an/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human TGFBR1


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50255957
PNG
(1-(4-(5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(5-...)
Show SMILES CC(=O)N1CCN(CC1)c1nc(c([nH]1)-c1ccc2ncnn2c1)-c1ccc(F)c(C)n1
Show InChI InChI=1S/C21H21FN8O/c1-13-16(22)4-5-17(25-13)20-19(15-3-6-18-23-12-24-30(18)11-15)26-21(27-20)29-9-7-28(8-10-29)14(2)31/h3-6,11-12H,7-10H2,1-2H3,(H,26,27)
PDB

KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.22E+3n/an/an/an/a



Abbot Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TGFBR1 (unknown origin) transfected in human HepG2 cells after 24 hrs by plasminogen activator inhibitor-luciferase reporter gene assay


Bioorg Med Chem Lett 19: 912-6 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.119
BindingDB Entry DOI: 10.7270/Q2FX799C
More data for this
Ligand-Target Pair