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SMILES: CC(O)CCNCc1ccn2nc(nc(Nc3ccncc3F)c12)-c1ccccn1

InChI Key: InChIKey=HJTMXUSRFLGCTK-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 = 406990   
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))
BDBM406990
PNG
(4-[({4-[(3-fluoropyridin-4-yl)amino]-2-(pyridin-2-...)
Show SMILES CC(O)CCNCc1ccn2nc(nc(Nc3ccncc3F)c12)-c1ccccn1
Show InChI InChI=1S/C21H22FN7O/c1-14(30)5-9-23-12-15-7-11-29-19(15)21(26-17-6-10-24-13-16(17)22)27-20(28-29)18-4-2-3-8-25-18/h2-4,6-8,10-11,13-14,23,30H,5,9,12H2,1H3,(H,24,26,27,28)
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 66n/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))
BDBM406990
PNG
(4-[({4-[(3-fluoropyridin-4-yl)amino]-2-(pyridin-2-...)
Show SMILES CC(O)CCNCc1ccn2nc(nc(Nc3ccncc3F)c12)-c1ccccn1
Show InChI InChI=1S/C21H22FN7O/c1-14(30)5-9-23-12-15-7-11-29-19(15)21(26-17-6-10-24-13-16(17)22)27-20(28-29)18-4-2-3-8-25-18/h2-4,6-8,10-11,13-14,23,30H,5,9,12H2,1H3,(H,24,26,27,28)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.520n/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