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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1' and Ligand = 'BDBM172593'   
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


(Homo sapiens (Human))
BDBM172593
PNG
(US9675593, 671)
Show SMILES CCn1cnc2c(cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c12)-c1cnn(c1)C(C)C
Show InChI InChI=1S/C21H20F3N5O2/c1-4-27-12-25-18-17(14-9-26-29(10-14)13(2)3)11-28(20(30)19(18)27)15-5-7-16(8-6-15)31-21(22,23)24/h5-13H,4H2,1-3H3
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