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BDBM28567 N-({2-fluoro-5-[12-methyl-8-(methylamino)-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-4-yl]phenyl}methyl)methanesulfonamide::thiazole-based tricyclic inhibitor, 37b

SMILES: CNc1nc2sc(nc2c2n(C)cnc12)-c1ccc(F)c(CNS(C)(=O)=O)c1

InChI Key: InChIKey=HDEISUCZANRSRN-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 28567   
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 alpha


(Homo sapiens (Human))
BDBM28567
PNG
(N-({2-fluoro-5-[12-methyl-8-(methylamino)-5-thia-3...)
Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)-c1ccc(F)c(CNS(C)(=O)=O)c1
Show InChI InChI=1S/C17H17FN6O2S2/c1-19-15-12-14(24(2)8-20-12)13-17(23-15)27-16(22-13)9-4-5-11(18)10(6-9)7-21-28(3,25)26/h4-6,8,21H,7H2,1-3H3,(H,19,23)
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Similars

Article
PubMed
n/an/a 4.20E+3n/an/an/an/an/a25



Bristol-Myers Squibb Co.



Assay Description
Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...


J Med Chem 52: 1994-2005 (2009)


Article DOI: 10.1021/jm8015816
BindingDB Entry DOI: 10.7270/Q2DB804M
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM28567
PNG
(N-({2-fluoro-5-[12-methyl-8-(methylamino)-5-thia-3...)
Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)-c1ccc(F)c(CNS(C)(=O)=O)c1
Show InChI InChI=1S/C17H17FN6O2S2/c1-19-15-12-14(24(2)8-20-12)13-17(23-15)27-16(22-13)9-4-5-11(18)10(6-9)7-21-28(3,25)26/h4-6,8,21H,7H2,1-3H3,(H,19,23)
PDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 32n/an/an/an/a7.522



Bristol-Myers Squibb Co.



Assay Description
Assays measuring the enzyme catalyzed phosphorylation of GST-I-kappa-B-alpha were performed by adding enzyme at room temperature to substrate solutio...


J Med Chem 52: 1994-2005 (2009)


Article DOI: 10.1021/jm8015816
BindingDB Entry DOI: 10.7270/Q2DB804M
More data for this
Ligand-Target Pair