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BDBM172786 US9675593, 687

SMILES: Cn1cc(cn1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2nnn(CCF)c12

InChI Key: InChIKey=FDTOQGNWMKIKGI-UHFFFAOYSA-N

Data: 1 EC50

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 1 hit for monomerid = 172786   
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
Endothelin-1


(Homo sapiens (Human))
BDBM172786
PNG
(US9675593, 687)
Show SMILES Cn1cc(cn1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2nnn(CCF)c12
Show InChI InChI=1S/C18H14F4N6O2/c1-26-9-11(8-23-26)14-10-27(12-2-4-13(5-3-12)30-18(20,21)22)17(29)15-16(14)28(7-6-19)25-24-15/h2-5,8-10H,6-7H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<5.00E+4n/an/an/an/a



SRMLSC

US Patent


Assay Description
Fibroblasts (primary human lung and dermal, HFL-1, 3T3 etc) are seeded in 96-well plates at ~15000 cells/well and serum starved for 0-48 hours. After...


US Patent US9675593 (2017)


BindingDB Entry DOI: 10.7270/Q2319T24
More data for this
Ligand-Target Pair