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BDBM172590 US9675593, 667

SMILES: CCOc1ccc(-c2c(-c3ccc(F)cc3)c(=O)c2=O)c(C)c1

InChI Key: InChIKey=QUPBECODCPIBQC-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 = 172590   
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))
BDBM172590
PNG
(US9675593, 667)
Show SMILES CCOc1ccc(-c2c(-c3ccc(F)cc3)c(=O)c2=O)c(C)c1 |(4.52,-5.84,;3.45,-4.74,;3.86,-3.25,;2.79,-2.15,;1.26,-2.46,;.17,-1.37,;.57,.12,;-.52,1.21,;-2.06,1.21,;-3.15,.12,;-4.63,.52,;-5.72,-.57,;-5.33,-2.06,;-6.41,-3.15,;-3.84,-2.46,;-2.75,-1.37,;-2.06,2.75,;-3.15,3.84,;-.52,2.75,;.57,3.84,;2.06,.52,;2.46,2.01,;3.15,-.57,)|
Show InChI InChI=1S/C19H15FO3/c1-3-23-14-8-9-15(11(2)10-14)17-16(18(21)19(17)22)12-4-6-13(20)7-5-12/h4-10H,3H2,1-2H3
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