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BDBM172597 US9675593, 675

SMILES: Cc1nc2c(c(cn(-c3ccc(OC(F)(F)F)cc3)c2=O)-c2cn[nH]c2)n1C

InChI Key: InChIKey=KUTCXADLJFEOIG-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 = 172597   
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))
BDBM172597
PNG
(US9675593, 675)
Show SMILES Cc1nc2c(c(cn(-c3ccc(OC(F)(F)F)cc3)c2=O)-c2cn[nH]c2)n1C
Show InChI InChI=1S/C18H14F3N5O2/c1-10-24-15-16(25(10)2)14(11-7-22-23-8-11)9-26(17(15)27)12-3-5-13(6-4-12)28-18(19,20)21/h3-9H,1-2H3,(H,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