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BDBM172578 US9675593, 631

SMILES: Cn1cc(cn1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2[nH]nnc12

InChI Key: InChIKey=XOKXVPUIHMNJEM-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 = 172578   
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))
BDBM172578
PNG
(US9675593, 631)
Show SMILES Cn1cc(cn1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2[nH]nnc12
Show InChI InChI=1S/C16H11F3N6O2/c1-24-7-9(6-20-24)12-8-25(15(26)14-13(12)21-23-22-14)10-2-4-11(5-3-10)27-16(17,18)19/h2-8H,1H3,(H,21,22,23)
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