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SMILES: CC(=O)Nc1cc(Nc2nc(nn3ccc(CN4CCC(F)(F)CC4)c23)-c2ccccn2)ccn1

InChI Key: InChIKey=CHAIHARSRAHKQQ-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 = 406741   
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))
BDBM406741
PNG
(N-[4-({5-[(4,4-difluoropiperidin-1-yl)methyl]-2-(p...)
Show SMILES CC(=O)Nc1cc(Nc2nc(nn3ccc(CN4CCC(F)(F)CC4)c23)-c2ccccn2)ccn1
Show InChI InChI=1S/C24H24F2N8O/c1-16(35)29-20-14-18(5-10-28-20)30-23-21-17(15-33-12-7-24(25,26)8-13-33)6-11-34(21)32-22(31-23)19-4-2-3-9-27-19/h2-6,9-11,14H,7-8,12-13,15H2,1H3,(H2,28,29,30,31,32,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 160n/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-1


(Homo sapiens (Human))
BDBM406741
PNG
(N-[4-({5-[(4,4-difluoropiperidin-1-yl)methyl]-2-(p...)
Show SMILES CC(=O)Nc1cc(Nc2nc(nn3ccc(CN4CCC(F)(F)CC4)c23)-c2ccccn2)ccn1
Show InChI InChI=1S/C24H24F2N8O/c1-16(35)29-20-14-18(5-10-28-20)30-23-21-17(15-33-12-7-24(25,26)8-13-33)6-11-34(21)32-22(31-23)19-4-2-3-9-27-19/h2-6,9-11,14H,7-8,12-13,15H2,1H3,(H2,28,29,30,31,32,35)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.400n/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