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SMILES: Cn1cc(CN2CCN(CC2)c2cc(C(=O)Nc3ccc4CCc5c(nn(c5-c4c3)-c3cccc(F)c3)C(N)=O)c(Cl)cn2)cn1

InChI Key: InChIKey=YDDFKZTYOAIFBV-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50336175   
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))		BDBM50336175
PNG
(8-[(5-Chloro-2-{4-[(1-methyl-1H-pyrazol-4-yl)methy...)
Show SMILES Cn1cc(CN2CCN(CC2)c2cc(C(=O)Nc3ccc4CCc5c(nn(c5-c4c3)-c3cccc(F)c3)C(N)=O)c(Cl)cn2)cn1
Show InChI InChI=1S/C33H31ClFN9O2/c1-41-18-20(16-38-41)19-42-9-11-43(12-10-42)29-15-27(28(34)17-37-29)33(46)39-23-7-5-21-6-8-25-30(32(36)45)40-44(31(25)26(21)14-23)24-4-2-3-22(35)13-24/h2-5,7,13-18H,6,8-12,19H2,1H3,(H2,36,45)(H,39,46)
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Article
PubMed
n/an/a 14n/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