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SMILES: NC(=O)c1nn(c-2c1CCc1ccc(NC(=O)c3cc(ncc3Cl)N3CCN(Cc4cnn(CC(=O)N(CCO)CCO)c4)CC3)cc-21)-c1ccc(F)cc1

InChI Key: InChIKey=BHHWVKQXKIOMRP-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50336200   
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))		BDBM50336200
PNG
(8-[(2-{4-[(1-{2-[Bis(2-hydroxyethyl)amino]-2-oxoet...)
Show SMILES NC(=O)c1nn(c-2c1CCc1ccc(NC(=O)c3cc(ncc3Cl)N3CCN(Cc4cnn(CC(=O)N(CCO)CCO)c4)CC3)cc-21)-c1ccc(F)cc1
Show InChI InChI=1S/C38H40ClFN10O5/c39-32-20-42-33(47-11-9-46(10-12-47)21-24-19-43-49(22-24)23-34(53)48(13-15-51)14-16-52)18-31(32)38(55)44-27-5-1-25-2-8-29-35(37(41)54)45-50(36(29)30(25)17-27)28-6-3-26(40)4-7-28/h1,3-7,17-20,22,51-52H,2,8-16,21,23H2,(H2,41,54)(H,44,55)
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Article
PubMed
n/an/a 10.2n/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