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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1' and Ligand = 'BDBM172826'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Endothelin-1


(Human)
BDBM172826
PNG
(US9675593, 691)
Show SMILES CCOCCn1ccc2c(cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c12)-c1cn[nH]c1
Show InChI InChI=1S/C21H19F3N4O3/c1-2-30-10-9-27-8-7-17-18(14-11-25-26-12-14)13-28(20(29)19(17)27)15-3-5-16(6-4-15)31-21(22,23)24/h3-8,11-13H,2,9-10H2,1H3,(H,25,26)
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