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

InChI Key: InChIKey=PMKDMVAXGHVCHH-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50336177   
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))		BDBM50336177
PNG
(CHEMBL1669566 | Ethyl[4-({4-[4-({[3-(aminocarbonyl...)
Show SMILES CCOC(=O)Cn1cc(CN2CCN(CC2)c2cc(C(=O)Nc3ccc4CCc5c(nn(c5-c4c3)-c3cccc(F)c3)C(N)=O)c(Cl)cn2)cn1
Show InChI InChI=1S/C36H35ClFN9O4/c1-2-51-32(48)21-46-20-22(17-41-46)19-44-10-12-45(13-11-44)31-16-29(30(37)18-40-31)36(50)42-25-8-6-23-7-9-27-33(35(39)49)43-47(34(27)28(23)15-25)26-5-3-4-24(38)14-26/h3-6,8,14-18,20H,2,7,9-13,19,21H2,1H3,(H2,39,49)(H,42,50)
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n/an/a 5n/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