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

InChI Key: InChIKey=OIYVSSYOSBYGKT-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50336185   
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))		BDBM50336185
PNG
(8-{[5-Chloro-2-(4-{[1-(2-cyanoethyl)-1H-pyrazol-4-...)
Show SMILES NC(=O)c1nn(c-2c1CCc1ccc(NC(=O)c3cc(ncc3Cl)N3CCN(Cc4cnn(CCC#N)c4)CC3)cc-21)-c1ccc(F)cc1
Show InChI InChI=1S/C35H32ClFN10O2/c36-30-19-40-31(45-14-12-44(13-15-45)20-22-18-41-46(21-22)11-1-10-38)17-29(30)35(49)42-25-6-2-23-3-9-27-32(34(39)48)43-47(33(27)28(23)16-25)26-7-4-24(37)5-8-26/h2,4-8,16-19,21H,1,3,9,11-15,20H2,(H2,39,48)(H,42,49)
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PubMed
n/an/a 7.60n/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