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SMILES: CCn1nc2c(cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c2n1)-c1cnn(C)c1

InChI Key: InChIKey=LLOPZTOUVIKANN-UHFFFAOYSA-N

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 172569   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Endothelin-1


(Homo sapiens (Human))		BDBM172569
PNG
(US9675593, 619)
Show SMILES CCn1nc2c(cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C18H15F3N6O2/c1-3-27-23-15-14(11-8-22-25(2)9-11)10-26(17(28)16(15)24-27)12-4-6-13(7-5-12)29-18(19,20)21/h4-10H,3H2,1-2H3
UniProtKB/SwissProt

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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