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SMILES: CN1CCN(CC1)c1cc(C(=O)Nc2ccc3CCc4c(nn(c4-c3c2)-c2ccc(F)c(F)c2)C(N)=O)c(Cl)cn1

InChI Key: InChIKey=FURWSAGJNCIHCJ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50336165   
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
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))		BDBM50336165
PNG
(8-(5-chloro-2-(4-methylpiperazin-1-yl)isonicotinam...)
Show SMILES CN1CCN(CC1)c1cc(C(=O)Nc2ccc3CCc4c(nn(c4-c3c2)-c2ccc(F)c(F)c2)C(N)=O)c(Cl)cn1
Show InChI InChI=1S/C29H26ClF2N7O2/c1-37-8-10-38(11-9-37)25-14-21(22(30)15-34-25)29(41)35-17-4-2-16-3-6-19-26(28(33)40)36-39(27(19)20(16)12-17)18-5-7-23(31)24(32)13-18/h2,4-5,7,12-15H,3,6,8-11H2,1H3,(H2,33,40)(H,35,41)
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n/an/a 10n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IKK2 in human PBMC

Bioorg Med Chem 19: 1242-55 (2011)


Article DOI: 10.1016/j.bmc.2010.12.027
BindingDB Entry DOI: 10.7270/Q2F76CTN
More data for this
Ligand-Target Pair