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SMILES: FC(F)Oc1ccccc1N1CCCc2nc3ccc(cn3c12)-c1cnc(nc1)N1CCOCC1

InChI Key: InChIKey=VPZUJTMGMASNDY-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 296841   
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
Tumor necrosis factor


(Homo sapiens (Human))		BDBM296841
PNG
(4-(5-(1-(2-(Difluoromethoxy)phenyl)-1,2,3,4-tetrah...)
Show SMILES FC(F)Oc1ccccc1N1CCCc2nc3ccc(cn3c12)-c1cnc(nc1)N1CCOCC1
Show InChI InChI=1S/C25H24F2N6O2/c26-24(27)35-21-6-2-1-5-20(21)32-9-3-4-19-23(32)33-16-17(7-8-22(33)30-19)18-14-28-25(29-15-18)31-10-12-34-13-11-31/h1-2,5-8,14-16,24H,3-4,9-13H2
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US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...

US Patent US10112944 (2018)


BindingDB Entry DOI: 10.7270/Q2NG4SPB
More data for this
Ligand-Target Pair