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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1' and Ligand = 'BDBM173084'   
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))
BDBM173084
PNG
(US9675593, 704)
Show SMILES CCOc1ccc(c(C)c1)-n1cc(-c2cnn(C)c2)c(NCc2ccc(cc2)C#N)cc1=O
Show InChI InChI=1S/C26H25N5O2/c1-4-33-22-9-10-25(18(2)11-22)31-17-23(21-15-29-30(3)16-21)24(12-26(31)32)28-14-20-7-5-19(13-27)6-8-20/h5-12,15-17,28H,4,14H2,1-3H3
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