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SMILES: FC(F)(F)c1cccc(n1)-c1nc(Nc2ccnc(NC(=O)CN3CCCC3)c2)c2cc[nH]c2n1

InChI Key: InChIKey=JKKVCWQINKOSMZ-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 412738   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM412738
PNG
(2-(pyrrolidin-1-yl)-N-(4-((2-(6-(trifluoromethyl)p...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(Nc2ccnc(NC(=O)CN3CCCC3)c2)c2cc[nH]c2n1
Show InChI InChI=1S/C23H21F3N8O/c24-23(25,26)17-5-3-4-16(30-17)22-32-20-15(7-9-28-20)21(33-22)29-14-6-8-27-18(12-14)31-19(35)13-34-10-1-2-11-34/h3-9,12H,1-2,10-11,13H2,(H3,27,28,29,31,32,33,35)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a>1.50E+4n/an/an/an/an/an/a



Bristol-Myer Squibb Company

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 US10399987 (2019)


BindingDB Entry DOI: 10.7270/Q2222X4N
More data for this
Ligand-Target Pair
TGF-beta receptor type-1 [4-503,T204D]


(Homo sapiens (Human))
BDBM412738
PNG
(2-(pyrrolidin-1-yl)-N-(4-((2-(6-(trifluoromethyl)p...)
Show SMILES FC(F)(F)c1cccc(n1)-c1nc(Nc2ccnc(NC(=O)CN3CCCC3)c2)c2cc[nH]c2n1
Show InChI InChI=1S/C23H21F3N8O/c24-23(25,26)17-5-3-4-16(30-17)22-32-20-15(7-9-28-20)21(33-22)29-14-6-8-27-18(12-14)31-19(35)13-34-10-1-2-11-34/h3-9,12H,1-2,10-11,13H2,(H3,27,28,29,31,32,33,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 0.420n/an/an/an/an/an/a



Bristol-Myer Squibb Company

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 US10399987 (2019)


BindingDB Entry DOI: 10.7270/Q2222X4N
More data for this
Ligand-Target Pair