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BDBM172579 US9675593, 634

SMILES: CCn1nnc2c(cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c12)-c1cn[nH]c1

InChI Key: InChIKey=FHBOXTWYISFACD-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 = 172579   
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))
BDBM172579
PNG
(US9675593, 634)
Show SMILES CCn1nnc2c(cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c12)-c1cn[nH]c1
Show InChI InChI=1S/C17H13F3N6O2/c1-2-26-15-14(23-24-26)13(10-7-21-22-8-10)9-25(16(15)27)11-3-5-12(6-4-11)28-17(18,19)20/h3-9H,2H2,1H3,(H,21,22)
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