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SMILES: CN(C)CCCn1cc(CN2CCN(CC2)c2cc(C(=O)Nc3ccc4CCc5c(nn(c5-c4c3)-c3ccc(F)cc3)C(N)=O)c(Cl)cn2)cn1

InChI Key: InChIKey=XUUJEVQPTANGLC-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50336189   
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))		BDBM50336189
PNG
(8-({5-Chloro-2-[4-({1-[3-(dimethylamino)propyl]-1H...)
Show SMILES CN(C)CCCn1cc(CN2CCN(CC2)c2cc(C(=O)Nc3ccc4CCc5c(nn(c5-c4c3)-c3ccc(F)cc3)C(N)=O)c(Cl)cn2)cn1
Show InChI InChI=1S/C37H40ClFN10O2/c1-45(2)12-3-13-48-23-24(20-42-48)22-46-14-16-47(17-15-46)33-19-31(32(38)21-41-33)37(51)43-27-8-4-25-5-11-29-34(36(40)50)44-49(35(29)30(25)18-27)28-9-6-26(39)7-10-28/h4,6-10,18-21,23H,3,5,11-17,22H2,1-2H3,(H2,40,50)(H,43,51)
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Article
PubMed
n/an/a 3.70n/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