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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1' and Ligand = 'BDBM172319'   
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))		BDBM172319
PNG
(US9675593, 393)
Show SMILES Cn1cc(cn1)-c1cn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2NC(=O)COc12
Show InChI InChI=1S/C18H13F3N4O4/c1-24-7-10(6-22-24)13-8-25(17(27)15-16(13)28-9-14(26)23-15)11-2-4-12(5-3-11)29-18(19,20)21/h2-8H,9H2,1H3,(H,23,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>2.00E+5n/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