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SMILES: CCn1nnc2c(cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c12)-c1ccc(F)cc1

InChI Key: InChIKey=NIGAQMCEXBKEQZ-UHFFFAOYSA-N

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

Found 1 hit for monomerid = 172782   
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))		BDBM172782
PNG
(US9675593, 683)
Show SMILES CCn1nnc2c(cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C20H14F4N4O2/c1-2-28-18-17(25-26-28)16(12-3-5-13(21)6-4-12)11-27(19(18)29)14-7-9-15(10-8-14)30-20(22,23)24/h3-11H,2H2,1H3
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