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SMILES: CN(C)CCCNC(=O)Cn1cc(CN2CCN(CC2)c2cc(C(=O)Nc3ccc4CCc5c(nn(c5-c4c3)-c3ccc(F)cc3)C(N)=O)c(Cl)cn2)cn1

InChI Key: InChIKey=WGJQSCOYVYETDZ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50336201   
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))		BDBM50336201
PNG
(8-{[5-Chloro-2-(4-{[1-(2-{[3-(dimethylamino)propyl...)
Show SMILES CN(C)CCCNC(=O)Cn1cc(CN2CCN(CC2)c2cc(C(=O)Nc3ccc4CCc5c(nn(c5-c4c3)-c3ccc(F)cc3)C(N)=O)c(Cl)cn2)cn1
Show InChI InChI=1S/C39H43ClFN11O3/c1-48(2)13-3-12-43-35(53)24-51-23-25(20-45-51)22-49-14-16-50(17-15-49)34-19-32(33(40)21-44-34)39(55)46-28-8-4-26-5-11-30-36(38(42)54)47-52(37(30)31(26)18-28)29-9-6-27(41)7-10-29/h4,6-10,18-21,23H,3,5,11-17,22,24H2,1-2H3,(H2,42,54)(H,43,53)(H,46,55)
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Article
PubMed
n/an/a 3.30n/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