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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'TGF-beta receptor type-1' and Ligand = 'BDBM406778'   
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


(Homo sapiens (Human))
BDBM406778
PNG
(3,5-difluoro-N-[2-(6-methylpyridin-2-yl)pyrrolo[2,...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2c(F)cncc2F)c2cccn2n1
Show InChI InChI=1S/C17H12F2N6/c1-10-4-2-5-13(21-10)16-23-17(14-6-3-7-25(14)24-16)22-15-11(18)8-20-9-12(15)19/h2-9H,1H3,(H,20,22,23,24)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.40n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
Assays are conducted in 1536-well plates and 2 mL reactions are prepared from addition of HIS-TGFβR1 T204D or HIS-TGFβR2 WT, anti-HIS detec...


US Patent US10336761 (2019)


BindingDB Entry DOI: 10.7270/Q2M90C2R
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM406778
PNG
(3,5-difluoro-N-[2-(6-methylpyridin-2-yl)pyrrolo[2,...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2c(F)cncc2F)c2cccn2n1
Show InChI InChI=1S/C17H12F2N6/c1-10-4-2-5-13(21-10)16-23-17(14-6-3-7-25(14)24-16)22-15-11(18)8-20-9-12(15)19/h2-9H,1H3,(H,20,22,23,24)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.40n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged TGFbetaR1 T204D mutant expressed in Sf9 insect cells after 1 hr by HTRF assay


Bioorg Med Chem 26: 1026-1034 (2018)


Article DOI: 10.1016/j.bmc.2018.01.014
BindingDB Entry DOI: 10.7270/Q27M0BHV
More data for this
Ligand-Target Pair