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BDBM50319749 CHEMBL1083176::N-(2-(4-sulfamoylphenylamino)-5,6-dihydrobenzo[h]quinazolin-8-yl)cyclopentanecarboxamide

SMILES: NS(=O)(=O)c1ccc(Nc2ncc3CCc4cc(NC(=O)C5CCCC5)ccc4-c3n2)cc1

InChI Key: InChIKey=DYWJQCINNODPCV-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50319749   
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))
BDBM50319749
PNG
(CHEMBL1083176 | N-(2-(4-sulfamoylphenylamino)-5,6-...)
Show SMILES NS(=O)(=O)c1ccc(Nc2ncc3CCc4cc(NC(=O)C5CCCC5)ccc4-c3n2)cc1
Show InChI InChI=1S/C24H25N5O3S/c25-33(31,32)20-10-7-18(8-11-20)28-24-26-14-17-6-5-16-13-19(9-12-21(16)22(17)29-24)27-23(30)15-3-1-2-4-15/h7-15H,1-6H2,(H,27,30)(H2,25,31,32)(H,26,28,29)
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.57E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta expressed in human HeLa cells transfected with pNFkappaB-luciferase assessed inhibition of TNFalpha-induced NF-kappaB expressio...


Bioorg Med Chem Lett 20: 3821-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.022
BindingDB Entry DOI: 10.7270/Q2833S7X
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50319749
PNG
(CHEMBL1083176 | N-(2-(4-sulfamoylphenylamino)-5,6-...)
Show SMILES NS(=O)(=O)c1ccc(Nc2ncc3CCc4cc(NC(=O)C5CCCC5)ccc4-c3n2)cc1
Show InChI InChI=1S/C24H25N5O3S/c25-33(31,32)20-10-7-18(8-11-20)28-24-26-14-17-6-5-16-13-19(9-12-21(16)22(17)29-24)27-23(30)15-3-1-2-4-15/h7-15H,1-6H2,(H,27,30)(H2,25,31,32)(H,26,28,29)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged IKKbeta after 30 mins


Bioorg Med Chem Lett 20: 3821-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.022
BindingDB Entry DOI: 10.7270/Q2833S7X
More data for this
Ligand-Target Pair