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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'TGF-beta receptor type-1' and Ligand = 'BDBM412734'   
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))
BDBM412734
PNG
(N-(3-fluoropyridin-4-yl)-2-(6-methylpyridin-2-yl)-...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccncc2F)c2cc[nH]c2n1
Show InChI InChI=1S/C17H13FN6/c1-10-3-2-4-14(21-10)17-23-15-11(5-8-20-15)16(24-17)22-13-6-7-19-9-12(13)18/h2-9H,1H3,(H2,19,20,22,23,24)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
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UniChem
Article
PubMed
0.140n/an/an/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
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM412734
PNG
(N-(3-fluoropyridin-4-yl)-2-(6-methylpyridin-2-yl)-...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccncc2F)c2cc[nH]c2n1
Show InChI InChI=1S/C17H13FN6/c1-10-3-2-4-14(21-10)17-23-15-11(5-8-20-15)16(24-17)22-13-6-7-19-9-12(13)18/h2-9H,1H3,(H2,19,20,22,23,24)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

UniChem
Article
PubMed
n/an/a 5.10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of TGFbetaR1 in human primary T-cells assessed as TGFbeta-stimulated PSMAD phosphorylation preincubated for 1 hr followed by TGFbeta addit...


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
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM412734
PNG
(N-(3-fluoropyridin-4-yl)-2-(6-methylpyridin-2-yl)-...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccncc2F)c2cc[nH]c2n1
Show InChI InChI=1S/C17H13FN6/c1-10-3-2-4-14(21-10)17-23-15-11(5-8-20-15)16(24-17)22-13-6-7-19-9-12(13)18/h2-9H,1H3,(H2,19,20,22,23,24)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

UniChem
Article
PubMed
n/an/a 7n/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