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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 = 'BDBM406802'   
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))
BDBM406802
PNG
(N-{2-[6-(trifluoromethyl)pyridin-2-yl]pyrrolo[2,1-...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(Nc2ccncc2)c2cccn2n1
Show InChI InChI=1S/C17H11F3N6/c18-17(19,20)14-5-1-3-12(23-14)15-24-16(13-4-2-10-26(13)25-15)22-11-6-8-21-9-7-11/h1-10H,(H,21,22,24,25)
PDB
MMDB

NCI pathway
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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8.48E+3n/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-2


(Homo sapiens (Human))
BDBM406802
PNG
(N-{2-[6-(trifluoromethyl)pyridin-2-yl]pyrrolo[2,1-...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(Nc2ccncc2)c2cccn2n1
Show InChI InChI=1S/C17H11F3N6/c18-17(19,20)14-5-1-3-12(23-14)15-24-16(13-4-2-10-26(13)25-15)22-11-6-8-21-9-7-11/h1-10H,(H,21,22,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.50E+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