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BDBM406957 3-fluoro-N-(5-{[(1-methylcyclobutyl)amino]methyl}-2-(pyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl)pyridin-4-amine::US10336761, Example 241

SMILES: CC1(CNCc2ccn3nc(nc(Nc4ccncc4F)c23)-c2ccccn2)CCC1

InChI Key: InChIKey=IPZDACXHKASOHW-UHFFFAOYSA-N

Data: 2 IC50

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 = 406957   
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 II


(Homo sapiens (Human))
BDBM406957
PNG
(3-fluoro-N-(5-{[(1-methylcyclobutyl)amino]methyl}-...)
Show SMILES CC1(CNCc2ccn3nc(nc(Nc4ccncc4F)c23)-c2ccccn2)CCC1
Show InChI InChI=1S/C23H24FN7/c1-23(8-4-9-23)15-26-13-16-7-12-31-20(16)22(28-18-6-11-25-14-17(18)24)29-21(30-31)19-5-2-3-10-27-19/h2-3,5-7,10-12,14,26H,4,8-9,13,15H2,1H3,(H,25,28,29,30)
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 1.10E+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-1


(Homo sapiens (Human))
BDBM406957
PNG
(3-fluoro-N-(5-{[(1-methylcyclobutyl)amino]methyl}-...)
Show SMILES CC1(CNCc2ccn3nc(nc(Nc4ccncc4F)c23)-c2ccccn2)CCC1
Show InChI InChI=1S/C23H24FN7/c1-23(8-4-9-23)15-26-13-16-7-12-31-20(16)22(28-18-6-11-25-14-17(18)24)29-21(30-31)19-5-2-3-10-27-19/h2-3,5-7,10-12,14,26H,4,8-9,13,15H2,1H3,(H,25,28,29,30)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.270n/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