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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'TGF-beta receptor type-2' and Ligand = 'BDBM387317'   
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-2


(Homo sapiens (Human))
BDBM387317
PNG
(N-[2-(6-methylpyridin-2-yl)pyrrolo[2,1-f][1,2,4]tr...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccnc3ccccc23)c2cccn2n1
Show InChI InChI=1S/C21H16N6/c1-14-6-4-9-18(23-14)20-25-21(19-10-5-13-27(19)26-20)24-17-11-12-22-16-8-3-2-7-15(16)17/h2-13H,1H3,(H,22,24,25,26)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of wild type His-tagged TGFbetaR2 (unknown origin) 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-2


(Homo sapiens (Human))
BDBM387317
PNG
(N-[2-(6-methylpyridin-2-yl)pyrrolo[2,1-f][1,2,4]tr...)
Show SMILES Cc1cccc(n1)-c1nc(Nc2ccnc3ccccc23)c2cccn2n1
Show InChI InChI=1S/C21H16N6/c1-14-6-4-9-18(23-14)20-25-21(19-10-5-13-27(19)26-20)24-17-11-12-22-16-8-3-2-7-15(16)17/h2-13H,1H3,(H,22,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.80E+3n/an/an/an/an/an/a



University of Southern California





J Med Chem 52: 20-32 (2009)


BindingDB Entry DOI: 10.7270/Q28C9ZKH
More data for this
Ligand-Target Pair