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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1' and Ligand = 'BDBM172590'   
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))		BDBM172590
PNG
(US9675593, 667)
Show SMILES CCOc1ccc(-c2c(-c3ccc(F)cc3)c(=O)c2=O)c(C)c1 |(4.52,-5.84,;3.45,-4.74,;3.86,-3.25,;2.79,-2.15,;1.26,-2.46,;.17,-1.37,;.57,.12,;-.52,1.21,;-2.06,1.21,;-3.15,.12,;-4.63,.52,;-5.72,-.57,;-5.33,-2.06,;-6.41,-3.15,;-3.84,-2.46,;-2.75,-1.37,;-2.06,2.75,;-3.15,3.84,;-.52,2.75,;.57,3.84,;2.06,.52,;2.46,2.01,;3.15,-.57,)|
Show InChI InChI=1S/C19H15FO3/c1-3-23-14-8-9-15(11(2)10-14)17-16(18(21)19(17)22)12-4-6-13(20)7-5-12/h4-10H,3H2,1-2H3
PDB

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