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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'TGF-beta receptor type-1 [4-503,T204D]' and Ligand = 'BDBM21508'   
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-1 [4-503,T204D]


(Homo sapiens (Human))
BDBM21508
PNG
(7-[2-(4-methylpiperazin-1-yl)ethoxy]-4-[2-(pyridin...)
Show SMILES CN1CCN(CCOc2ccc3c(ccnc3c2)-c2c3CCCn3nc2-c2ccccn2)CC1 |(-7.56,-5.69,;-7.56,-4.15,;-8.89,-3.38,;-8.89,-1.84,;-7.56,-1.07,;-7.56,.47,;-6.23,1.24,;-6.23,2.78,;-4.89,3.55,;-4.89,5.09,;-3.56,5.86,;-2.22,5.09,;-.89,5.86,;.44,5.09,;.44,3.55,;-.89,2.78,;-2.22,3.55,;-3.56,2.78,;-.89,7.4,;-1.89,8.57,;-3.39,8.93,;-3.51,10.46,;-2.09,11.05,;-1.09,9.88,;.41,9.52,;.53,7.99,;1.84,7.18,;1.86,5.64,;3.21,4.89,;4.53,5.67,;4.51,7.21,;3.17,7.97,;-6.23,-1.84,;-6.23,-3.38,)|
Show InChI InChI=1S/C27H30N6O/c1-31-13-15-32(16-14-31)17-18-34-20-7-8-21-22(9-11-29-24(21)19-20)26-25-6-4-12-33(25)30-27(26)23-5-2-3-10-28-23/h2-3,5,7-11,19H,4,6,12-18H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/a 38n/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