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SMILES: CN1CCN(CC(=O)Nc2cc(Nc3nc(nc4[nH]ccc34)-c3cccc(n3)C(F)(F)F)ccn2)CC1

InChI Key: InChIKey=NLDADCUWKQAMGQ-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 = 412739   
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))
BDBM412739
PNG
(2-(4-methylpiperazin-1-yl)-N-(4-((2-(6-(trifluorom...)
Show SMILES CN1CCN(CC(=O)Nc2cc(Nc3nc(nc4[nH]ccc34)-c3cccc(n3)C(F)(F)F)ccn2)CC1
Show InChI InChI=1S/C24H24F3N9O/c1-35-9-11-36(12-10-35)14-20(37)32-19-13-15(5-7-28-19)30-22-16-6-8-29-21(16)33-23(34-22)17-3-2-4-18(31-17)24(25,26)27/h2-8,13H,9-12,14H2,1H3,(H3,28,29,30,32,33,34,37)
PDB
MMDB

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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))
BDBM412739
PNG
(2-(4-methylpiperazin-1-yl)-N-(4-((2-(6-(trifluorom...)
Show SMILES CN1CCN(CC(=O)Nc2cc(Nc3nc(nc4[nH]ccc34)-c3cccc(n3)C(F)(F)F)ccn2)CC1
Show InChI InChI=1S/C24H24F3N9O/c1-35-9-11-36(12-10-35)14-20(37)32-19-13-15(5-7-28-19)30-22-16-6-8-29-21(16)33-23(34-22)17-3-2-4-18(31-17)24(25,26)27/h2-8,13H,9-12,14H2,1H3,(H3,28,29,30,32,33,34,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 0.530n/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