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SMILES: CN(c1ccncc1)c1nc(nc2[nH]ccc12)-c1cccc(n1)C(F)(F)F

InChI Key: InChIKey=CYDXLJGVQOEMHR-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 = 412773   
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))
BDBM412773
PNG
(N-methyl-N-{2-[6-(trifluoromethyl)pyridin-2-yl]-7H...)
Show SMILES CN(c1ccncc1)c1nc(nc2[nH]ccc12)-c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C18H13F3N6/c1-27(11-5-8-22-9-6-11)17-12-7-10-23-15(12)25-16(26-17)13-3-2-4-14(24-13)18(19,20)21/h2-10H,1H3,(H,23,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
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))
BDBM412773
PNG
(N-methyl-N-{2-[6-(trifluoromethyl)pyridin-2-yl]-7H...)
Show SMILES CN(c1ccncc1)c1nc(nc2[nH]ccc12)-c1cccc(n1)C(F)(F)F
Show InChI InChI=1S/C18H13F3N6/c1-27(11-5-8-22-9-6-11)17-12-7-10-23-15(12)25-16(26-17)13-3-2-4-14(24-13)18(19,20)21/h2-10H,1H3,(H,23,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
UniChem
US Patent
n/an/a 0.590n/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