BindingDB logo
myBDB logout

PubMed code 19267461

Compile data set for download or QSAR
Found 53 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/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))		BDBM28569
PNG
(N-({3-[12-methyl-8-(methylamino)-5-thia-3,7,10,12-...)
Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)-c1cccc(CNS(C)(=O)=O)c1
Show InChI InChI=1S/C17H18N6O2S2/c1-18-15-12-14(23(2)9-19-12)13-17(22-15)26-16(21-13)11-6-4-5-10(7-11)8-20-27(3,24)25/h4-7,9,20H,8H2,1-3H3,(H,18,22)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 5n/an/an/an/a7.522



Bristol-Myers Squibb Company



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))		BDBM28545
PNG
(N,12-dimethyl-4-phenyl-5-thia-3,7,10,12-tetraazatr...)
Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)-c1ccccc1
Show InChI InChI=1S/C15H13N5S/c1-16-13-10-12(20(2)8-17-10)11-15(19-13)21-14(18-11)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,16,19)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 6n/an/an/an/a7.522



Bristol-Myers Squibb Company



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))		BDBM28544
PNG
(N,12-dimethyl-4-phenyl-5-oxa-3,7,10,12-tetraazatri...)
Show SMILES CNc1nc2oc(nc2c2n(C)cnc12)-c1ccccc1
Show InChI InChI=1S/C15H13N5O/c1-16-13-10-12(20(2)8-17-10)11-15(19-13)21-14(18-11)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,16,19)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents
Article
PubMed
n/an/a 11n/an/an/an/a7.522



Bristol-Myers Squibb Company



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))		BDBM28555
PNG
(N,12-dimethyl-8-(methylamino)-5-thia-3,7,10,12-tet...)
Show SMILES CNC(=O)c1nc2c(nc(NC)c3ncn(C)c23)s1
Show InChI InChI=1S/C11H12N6OS/c1-12-8-5-7(17(3)4-14-5)6-10(16-8)19-11(15-6)9(18)13-2/h4H,1-3H3,(H,12,16)(H,13,18)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 15n/an/an/an/a7.522



Bristol-Myers Squibb Company



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))		BDBM28559
PNG
(12-methyl-8-(methylamino)-N-(thiophen-2-ylmethyl)-...)
Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)C(=O)NCc1cccs1
Show InChI InChI=1S/C15H14N6OS2/c1-16-12-9-11(21(2)7-18-9)10-14(20-12)24-15(19-10)13(22)17-6-8-4-3-5-23-8/h3-5,7H,6H2,1-2H3,(H,16,20)(H,17,22)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 15n/an/an/an/a7.522



Bristol-Myers Squibb Company



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))		BDBM28556
PNG
(N-ethyl-12-methyl-8-(methylamino)-5-thia-3,7,10,12...)
Show SMILES CCNC(=O)c1nc2c(nc(NC)c3ncn(C)c23)s1
Show InChI InChI=1S/C12H14N6OS/c1-4-14-10(19)12-16-7-8-6(15-5-18(8)3)9(13-2)17-11(7)20-12/h5H,4H2,1-3H3,(H,13,17)(H,14,19)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 15n/an/an/an/a7.522



Bristol-Myers Squibb Company



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))		BDBM28571
PNG
(N-({3-[12-methyl-8-(methylamino)-5-thia-3,7,10,12-...)
Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)-c1cccc(CNC(=O)c2csnn2)c1
Show InChI InChI=1S/C19H16N8OS2/c1-20-16-13-15(27(2)9-22-13)14-19(24-16)30-18(23-14)11-5-3-4-10(6-11)7-21-17(28)12-8-29-26-25-12/h3-6,8-9H,7H2,1-2H3,(H,20,24)(H,21,28)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 16n/an/an/an/a7.522



Bristol-Myers Squibb Company



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))		BDBM28568
PNG
(N-({3-[12-methyl-8-(methylamino)-5-thia-3,7,10,12-...)
Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)-c1cccc(CNC(C)=O)c1
Show InChI InChI=1S/C18H18N6OS/c1-10(25)20-8-11-5-4-6-12(7-11)17-22-14-15-13(21-9-24(15)3)16(19-2)23-18(14)26-17/h4-7,9H,8H2,1-3H3,(H,19,23)(H,20,25)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 22n/an/an/an/a7.522



Bristol-Myers Squibb Company



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))		BDBM28570
PNG
(N-({3-[12-methyl-8-(methylamino)-5-thia-3,7,10,12-...)
Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)-c1cccc(CNC(=O)c2ccno2)c1
Show InChI InChI=1S/C20H17N7O2S/c1-21-17-14-16(27(2)10-23-14)15-20(26-17)30-19(25-15)12-5-3-4-11(8-12)9-22-18(28)13-6-7-24-29-13/h3-8,10H,9H2,1-2H3,(H,21,26)(H,22,28)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 25n/an/an/an/a7.522



Bristol-Myers Squibb Company



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))		BDBM28560
PNG
(4-(4-fluorophenyl)-N,12-dimethyl-5-thia-3,7,10,12-...)
Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)-c1ccc(F)cc1
Show InChI InChI=1S/C15H12FN5S/c1-17-13-10-12(21(2)7-18-10)11-15(20-13)22-14(19-11)8-3-5-9(16)6-4-8/h3-7H,1-2H3,(H,17,20)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 26n/an/an/an/a7.522



Bristol-Myers Squibb Company



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))		BDBM28547
PNG
(N,12-dimethyl-4-(methylsulfanyl)-5-thia-3,7,10,12-...)
Show SMILES CNc1nc2sc(SC)nc2c2n(C)cnc12
Show InChI InChI=1S/C10H11N5S2/c1-11-8-5-7(15(2)4-12-5)6-9(14-8)17-10(13-6)16-3/h4H,1-3H3,(H,11,14)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 28n/an/an/an/a7.522



Bristol-Myers Squibb Company



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

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

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



Bristol-Myers Squibb Company



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))		BDBM28552
PNG
(N,12-dimethyl-4-(1,2,3,6-tetrahydropyridin-1-yl)-5...)
Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)N1CCC=CC1 |c:21|
Show InChI InChI=1S/C14H16N6S/c1-15-12-9-11(19(2)8-16-9)10-13(18-12)21-14(17-10)20-6-4-3-5-7-20/h3-4,8H,5-7H2,1-2H3,(H,15,18)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 33n/an/an/an/a7.522



Bristol-Myers Squibb Company



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))		BDBM28563
PNG
(N-(2-{[4-(4-fluorophenyl)-12-methyl-5-thia-3,7,10,...)
Show SMILES CC(=O)NCCNc1nc2sc(nc2c2n(C)cnc12)-c1ccc(F)cc1
Show InChI InChI=1S/C18H17FN6OS/c1-10(26)20-7-8-21-16-13-15(25(2)9-22-13)14-18(24-16)27-17(23-14)11-3-5-12(19)6-4-11/h3-6,9H,7-8H2,1-2H3,(H,20,26)(H,21,24)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 33n/an/an/an/a7.522



Bristol-Myers Squibb Company



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))		BDBM28543
PNG
(N,3-dimethyl-11-phenyl-1,3,5,8,12-pentaazatricyclo...)
Show SMILES CNc1nc2cc(nn2c2n(C)cnc12)-c1ccccc1
Show InChI InChI=1S/C15H14N6/c1-16-14-13-15(20(2)9-17-13)21-12(18-14)8-11(19-21)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,18)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents
Article
PubMed
n/an/a 34n/an/an/an/a7.522



Bristol-Myers Squibb Company



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))		BDBM28561
PNG
(N-ethyl-4-(4-fluorophenyl)-12-methyl-5-thia-3,7,10...)
Show SMILES CCNc1nc2sc(nc2c2n(C)cnc12)-c1ccc(F)cc1
Show InChI InChI=1S/C16H14FN5S/c1-3-18-14-11-13(22(2)8-19-11)12-16(21-14)23-15(20-12)9-4-6-10(17)7-5-9/h4-8H,3H2,1-2H3,(H,18,21)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 39n/an/an/an/a7.522



Bristol-Myers Squibb Company



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))		BDBM28566
PNG
(N-({2-fluoro-5-[12-methyl-8-(methylamino)-5-thia-3...)
Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)-c1ccc(F)c(CNC(C)=O)c1
Show InChI InChI=1S/C18H17FN6OS/c1-9(26)21-7-11-6-10(4-5-12(11)19)17-23-14-15-13(22-8-25(15)3)16(20-2)24-18(14)27-17/h4-6,8H,7H2,1-3H3,(H,20,24)(H,21,26)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 53n/an/an/an/a7.522



Bristol-Myers Squibb Company



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))		BDBM28565
PNG
(4-(4-fluorophenyl)-12-methyl-N-[2-(piperidin-1-yl)...)
Show SMILES Cn1cnc2c(NCCN3CCCCC3)nc3sc(nc3c12)-c1ccc(F)cc1
Show InChI InChI=1S/C21H23FN6S/c1-27-13-24-16-18(27)17-21(29-20(25-17)14-5-7-15(22)8-6-14)26-19(16)23-9-12-28-10-3-2-4-11-28/h5-8,13H,2-4,9-12H2,1H3,(H,23,26)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 56n/an/an/an/a7.522



Bristol-Myers Squibb Company



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))		BDBM28564
PNG
(2-[(2-{[4-(4-fluorophenyl)-12-methyl-5-thia-3,7,10...)
Show SMILES Cn1cnc2c(NCCNCCO)nc3sc(nc3c12)-c1ccc(F)cc1
Show InChI InChI=1S/C18H19FN6OS/c1-25-10-22-13-15(25)14-18(24-16(13)21-7-6-20-8-9-26)27-17(23-14)11-2-4-12(19)5-3-11/h2-5,10,20,26H,6-9H2,1H3,(H,21,24)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 75n/an/an/an/a7.522



Bristol-Myers Squibb Company



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))		BDBM28548
PNG
(4-methanesulfonyl-N,12-dimethyl-5-thia-3,7,10,12-t...)
Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)S(C)(=O)=O
Show InChI InChI=1S/C10H11N5O2S2/c1-11-8-5-7(15(2)4-12-5)6-9(14-8)18-10(13-6)19(3,16)17/h4H,1-3H3,(H,11,14)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 81n/an/an/an/a7.522



Bristol-Myers Squibb Company



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))		BDBM28554
PNG
(4-(azepan-1-yl)-N,12-dimethyl-5-thia-3,7,10,12-tet...)
Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)N1CCCCCC1
Show InChI InChI=1S/C15H20N6S/c1-16-13-10-12(20(2)9-17-10)11-14(19-13)22-15(18-11)21-7-5-3-4-6-8-21/h9H,3-8H2,1-2H3,(H,16,19)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 130n/an/an/an/a7.522



Bristol-Myers Squibb Company



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))		BDBM28557
PNG
(N-cyclopentyl-12-methyl-8-(methylamino)-5-thia-3,7...)
Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)C(=O)NC1CCCC1
Show InChI InChI=1S/C15H18N6OS/c1-16-12-9-11(21(2)7-17-9)10-14(20-12)23-15(19-10)13(22)18-8-5-3-4-6-8/h7-8H,3-6H2,1-2H3,(H,16,20)(H,18,22)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 160n/an/an/an/a7.522



Bristol-Myers Squibb Company



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))		BDBM28562
PNG
(4-(4-fluorophenyl)-12-methyl-5-thia-3,7,10,12-tetr...)
Show SMILES Cn1cnc2c(N)nc3sc(nc3c12)-c1ccc(F)cc1
Show InChI InChI=1S/C14H10FN5S/c1-20-6-17-9-11(20)10-14(19-12(9)16)21-13(18-10)7-2-4-8(15)5-3-7/h2-6H,1H3,(H2,16,19)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 180n/an/an/an/a7.522



Bristol-Myers Squibb Company



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))		BDBM28553
PNG
(N,12-dimethyl-4-(piperidin-1-yl)-5-thia-3,7,10,12-...)
Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)N1CCCCC1
Show InChI InChI=1S/C14H18N6S/c1-15-12-9-11(19(2)8-16-9)10-13(18-12)21-14(17-10)20-6-4-3-5-7-20/h8H,3-7H2,1-2H3,(H,15,18)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 210n/an/an/an/a7.522



Bristol-Myers Squibb Company



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 alpha


(Homo sapiens (Human))		BDBM28544
PNG
(N,12-dimethyl-4-phenyl-5-oxa-3,7,10,12-tetraazatri...)
Show SMILES CNc1nc2oc(nc2c2n(C)cnc12)-c1ccccc1
Show InChI InChI=1S/C15H13N5O/c1-16-13-10-12(20(2)8-17-10)11-15(19-13)21-14(18-11)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,16,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents
Article
PubMed
n/an/a 270n/an/an/an/an/a25



Bristol-Myers Squibb Company



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))		BDBM28551
PNG
(2-{[12-methyl-8-(methylamino)-5-thia-3,7,10,12-tet...)
Show SMILES CNc1nc2sc(NCCO)nc2c2n(C)cnc12
Show InChI InChI=1S/C11H14N6OS/c1-12-9-6-8(17(2)5-14-6)7-10(16-9)19-11(15-7)13-3-4-18/h5,18H,3-4H2,1-2H3,(H,12,16)(H,13,15)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 300n/an/an/an/a7.522



Bristol-Myers Squibb Company



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))		BDBM28546
PNG
(N,5,12-trimethyl-4-phenyl-3,5,7,10,12-pentaazatric...)
Show SMILES CNc1nc2n(C)c(nc2c2n(C)cnc12)-c1ccccc1
Show InChI InChI=1S/C16H16N6/c1-17-14-11-13(21(2)9-18-11)12-16(20-14)22(3)15(19-12)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,17,20)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 520n/an/an/an/a7.522



Bristol-Myers Squibb Company



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 alpha


(Homo sapiens (Human))		BDBM28555
PNG
(N,12-dimethyl-8-(methylamino)-5-thia-3,7,10,12-tet...)
Show SMILES CNC(=O)c1nc2c(nc(NC)c3ncn(C)c23)s1
Show InChI InChI=1S/C11H12N6OS/c1-12-8-5-7(17(3)4-14-5)6-10(16-8)19-11(15-6)9(18)13-2/h4H,1-3H3,(H,12,16)(H,13,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 840n/an/an/an/an/a25



Bristol-Myers Squibb Company



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))		BDBM28549
PNG
(4-N,8-N,12-trimethyl-5-thia-3,7,10,12-tetraazatric...)
Show SMILES CNc1nc2c(nc(NC)c3ncn(C)c23)s1
Show InChI InChI=1S/C10H12N6S/c1-11-8-5-7(16(3)4-13-5)6-9(15-8)17-10(12-2)14-6/h4H,1-3H3,(H,11,15)(H,12,14)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 920n/an/an/an/a7.522



Bristol-Myers Squibb Company



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 alpha


(Homo sapiens (Human))		BDBM28543
PNG
(N,3-dimethyl-11-phenyl-1,3,5,8,12-pentaazatricyclo...)
Show SMILES CNc1nc2cc(nn2c2n(C)cnc12)-c1ccccc1
Show InChI InChI=1S/C15H14N6/c1-16-14-13-15(20(2)9-17-13)21-12(18-14)8-11(19-21)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents
Article
PubMed
n/an/a 990n/an/an/an/an/a25



Bristol-Myers Squibb Company



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 alpha


(Homo sapiens (Human))		BDBM28569
PNG
(N-({3-[12-methyl-8-(methylamino)-5-thia-3,7,10,12-...)
Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)-c1cccc(CNS(C)(=O)=O)c1
Show InChI InChI=1S/C17H18N6O2S2/c1-18-15-12-14(23(2)9-19-12)13-17(22-15)26-16(21-13)11-6-4-5-10(7-11)8-20-27(3,24)25/h4-7,9,20H,8H2,1-3H3,(H,18,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/a25



Bristol-Myers Squibb Company



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 alpha


(Homo sapiens (Human))		BDBM28556
PNG
(N-ethyl-12-methyl-8-(methylamino)-5-thia-3,7,10,12...)
Show SMILES CCNC(=O)c1nc2c(nc(NC)c3ncn(C)c23)s1
Show InChI InChI=1S/C12H14N6OS/c1-4-14-10(19)12-16-7-8-6(15-5-18(8)3)9(13-2)17-11(7)20-12/h5H,4H2,1-3H3,(H,13,17)(H,14,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/a25



Bristol-Myers Squibb Company



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 alpha


(Homo sapiens (Human))		BDBM28570
PNG
(N-({3-[12-methyl-8-(methylamino)-5-thia-3,7,10,12-...)
Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)-c1cccc(CNC(=O)c2ccno2)c1
Show InChI InChI=1S/C20H17N7O2S/c1-21-17-14-16(27(2)10-23-14)15-20(26-17)30-19(25-15)12-5-3-4-11(8-12)9-22-18(28)13-6-7-24-29-13/h3-8,10H,9H2,1-2H3,(H,21,26)(H,22,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/a25



Bristol-Myers Squibb Company



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))		BDBM28550
PNG
(4-N-benzyl-8-N,12-dimethyl-5-thia-3,7,10,12-tetraa...)
Show SMILES CNc1nc2sc(NCc3ccccc3)nc2c2n(C)cnc12
Show InChI InChI=1S/C16H16N6S/c1-17-14-11-13(22(2)9-19-11)12-15(21-14)23-16(20-12)18-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,17,21)(H,18,20)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 1.50E+3n/an/an/an/a7.522



Bristol-Myers Squibb Company



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 alpha


(Homo sapiens (Human))		BDBM28568
PNG
(N-({3-[12-methyl-8-(methylamino)-5-thia-3,7,10,12-...)
Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)-c1cccc(CNC(C)=O)c1
Show InChI InChI=1S/C18H18N6OS/c1-10(25)20-8-11-5-4-6-12(7-11)17-22-14-15-13(21-9-24(15)3)16(19-2)23-18(14)26-17/h4-7,9H,8H2,1-3H3,(H,19,23)(H,20,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/a25



Bristol-Myers Squibb Company



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))		BDBM28558
PNG
(N,N-diethyl-12-methyl-8-(methylamino)-5-thia-3,7,1...)
Show SMILES CCN(CC)C(=O)c1nc2c(nc(NC)c3ncn(C)c23)s1
Show InChI InChI=1S/C14H18N6OS/c1-5-20(6-2)14(21)13-17-9-10-8(16-7-19(10)4)11(15-3)18-12(9)22-13/h7H,5-6H2,1-4H3,(H,15,18)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 2.50E+3n/an/an/an/a7.522



Bristol-Myers Squibb Company



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 alpha


(Homo sapiens (Human))		BDBM28547
PNG
(N,12-dimethyl-4-(methylsulfanyl)-5-thia-3,7,10,12-...)
Show SMILES CNc1nc2sc(SC)nc2c2n(C)cnc12
Show InChI InChI=1S/C10H11N5S2/c1-11-8-5-7(15(2)4-12-5)6-9(14-8)17-10(13-6)16-3/h4H,1-3H3,(H,11,14)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 2.60E+3n/an/an/an/an/a25



Bristol-Myers Squibb Company



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 alpha


(Homo sapiens (Human))		BDBM28560
PNG
(4-(4-fluorophenyl)-N,12-dimethyl-5-thia-3,7,10,12-...)
Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)-c1ccc(F)cc1
Show InChI InChI=1S/C15H12FN5S/c1-17-13-10-12(21(2)7-18-10)11-15(20-13)22-14(19-11)8-3-5-9(16)6-4-8/h3-7H,1-2H3,(H,17,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 3.10E+3n/an/an/an/an/a25



Bristol-Myers Squibb Company



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 alpha


(Homo sapiens (Human))		BDBM28561
PNG
(N-ethyl-4-(4-fluorophenyl)-12-methyl-5-thia-3,7,10...)
Show SMILES CCNc1nc2sc(nc2c2n(C)cnc12)-c1ccc(F)cc1
Show InChI InChI=1S/C16H14FN5S/c1-3-18-14-11-13(22(2)8-19-11)12-16(21-14)23-15(20-12)9-4-6-10(17)7-5-9/h4-8H,3H2,1-2H3,(H,18,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 3.40E+3n/an/an/an/an/a25



Bristol-Myers Squibb Company



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 alpha


(Homo sapiens (Human))		BDBM28549
PNG
(4-N,8-N,12-trimethyl-5-thia-3,7,10,12-tetraazatric...)
Show SMILES CNc1nc2c(nc(NC)c3ncn(C)c23)s1
Show InChI InChI=1S/C10H12N6S/c1-11-8-5-7(16(3)4-13-5)6-9(15-8)17-10(12-2)14-6/h4H,1-3H3,(H,11,15)(H,12,14)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.40E+3n/an/an/an/an/a25



Bristol-Myers Squibb Company



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 alpha


(Homo sapiens (Human))		BDBM28545
PNG
(N,12-dimethyl-4-phenyl-5-thia-3,7,10,12-tetraazatr...)
Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)-c1ccccc1
Show InChI InChI=1S/C15H13N5S/c1-16-13-10-12(20(2)8-17-10)11-15(19-13)21-14(18-11)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,16,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/a25



Bristol-Myers Squibb Company



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 alpha


(Homo sapiens (Human))		BDBM28566
PNG
(N-({2-fluoro-5-[12-methyl-8-(methylamino)-5-thia-3...)
Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)-c1ccc(F)c(CNC(C)=O)c1
Show InChI InChI=1S/C18H17FN6OS/c1-9(26)21-7-11-6-10(4-5-12(11)19)17-23-14-15-13(22-8-25(15)3)16(20-2)24-18(14)27-17/h4-6,8H,7H2,1-3H3,(H,20,24)(H,21,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/a25



Bristol-Myers Squibb Company



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 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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

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



Bristol-Myers Squibb Company



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 alpha


(Homo sapiens (Human))		BDBM28546
PNG
(N,5,12-trimethyl-4-phenyl-3,5,7,10,12-pentaazatric...)
Show SMILES CNc1nc2n(C)c(nc2c2n(C)cnc12)-c1ccccc1
Show InChI InChI=1S/C16H16N6/c1-17-14-11-13(21(2)9-18-11)12-16(20-14)22(3)15(19-12)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,17,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.30E+3n/an/an/an/an/a25



Bristol-Myers Squibb Company



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 alpha


(Homo sapiens (Human))		BDBM28563
PNG
(N-(2-{[4-(4-fluorophenyl)-12-methyl-5-thia-3,7,10,...)
Show SMILES CC(=O)NCCNc1nc2sc(nc2c2n(C)cnc12)-c1ccc(F)cc1
Show InChI InChI=1S/C18H17FN6OS/c1-10(26)20-7-8-21-16-13-15(25(2)9-22-13)14-18(24-16)27-17(23-14)11-3-5-12(19)6-4-11/h3-6,9H,7-8H2,1-2H3,(H,20,26)(H,21,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/a25



Bristol-Myers Squibb Company



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 alpha


(Homo sapiens (Human))		BDBM28553
PNG
(N,12-dimethyl-4-(piperidin-1-yl)-5-thia-3,7,10,12-...)
Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)N1CCCCC1
Show InChI InChI=1S/C14H18N6S/c1-15-12-9-11(19(2)8-16-9)10-13(18-12)21-14(17-10)20-6-4-3-5-7-20/h8H,3-7H2,1-2H3,(H,15,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 6.10E+3n/an/an/an/an/a25



Bristol-Myers Squibb Company



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 alpha


(Homo sapiens (Human))		BDBM28548
PNG
(4-methanesulfonyl-N,12-dimethyl-5-thia-3,7,10,12-t...)
Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)S(C)(=O)=O
Show InChI InChI=1S/C10H11N5O2S2/c1-11-8-5-7(15(2)4-12-5)6-9(14-8)18-10(13-6)19(3,16)17/h4H,1-3H3,(H,11,14)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 7.60E+3n/an/an/an/an/a25



Bristol-Myers Squibb Company



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 alpha


(Homo sapiens (Human))		BDBM28552
PNG
(N,12-dimethyl-4-(1,2,3,6-tetrahydropyridin-1-yl)-5...)
Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)N1CCC=CC1 |c:21|
Show InChI InChI=1S/C14H16N6S/c1-15-12-9-11(19(2)8-16-9)10-13(18-12)21-14(17-10)20-6-4-3-5-7-20/h3-4,8H,5-7H2,1-2H3,(H,15,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 8.10E+3n/an/an/an/an/a25



Bristol-Myers Squibb Company



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 alpha


(Homo sapiens (Human))		BDBM28565
PNG
(4-(4-fluorophenyl)-12-methyl-N-[2-(piperidin-1-yl)...)
Show SMILES Cn1cnc2c(NCCN3CCCCC3)nc3sc(nc3c12)-c1ccc(F)cc1
Show InChI InChI=1S/C21H23FN6S/c1-27-13-24-16-18(27)17-21(29-20(25-17)14-5-7-15(22)8-6-14)26-19(16)23-9-12-28-10-3-2-4-11-28/h5-8,13H,2-4,9-12H2,1H3,(H,23,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 8.30E+3n/an/an/an/an/a25



Bristol-Myers Squibb Company



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 alpha


(Homo sapiens (Human))		BDBM28564
PNG
(2-[(2-{[4-(4-fluorophenyl)-12-methyl-5-thia-3,7,10...)
Show SMILES Cn1cnc2c(NCCNCCO)nc3sc(nc3c12)-c1ccc(F)cc1
Show InChI InChI=1S/C18H19FN6OS/c1-25-10-22-13-15(25)14-18(24-16(13)21-7-6-20-8-9-26)27-17(23-14)11-2-4-12(19)5-3-11/h2-5,10,20,26H,6-9H2,1H3,(H,21,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 8.60E+3n/an/an/an/an/a25



Bristol-Myers Squibb Company



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 alpha


(Homo sapiens (Human))		BDBM28571
PNG
(N-({3-[12-methyl-8-(methylamino)-5-thia-3,7,10,12-...)
Show SMILES CNc1nc2sc(nc2c2n(C)cnc12)-c1cccc(CNC(=O)c2csnn2)c1
Show InChI InChI=1S/C19H16N8OS2/c1-20-16-13-15(27(2)9-22-13)14-19(24-16)30-18(23-14)11-5-3-4-10(6-11)7-21-17(28)12-8-29-26-25-12/h3-6,8-9H,7H2,1-2H3,(H,20,24)(H,21,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/a25



Bristol-Myers Squibb Company



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 alpha


(Homo sapiens (Human))		BDBM28562
PNG
(4-(4-fluorophenyl)-12-methyl-5-thia-3,7,10,12-tetr...)
Show SMILES Cn1cnc2c(N)nc3sc(nc3c12)-c1ccc(F)cc1
Show InChI InChI=1S/C14H10FN5S/c1-20-6-17-9-11(20)10-14(19-12(9)16)21-13(18-10)7-2-4-8(15)5-3-7/h2-6H,1H3,(H2,16,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/a25



Bristol-Myers Squibb Company



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 alpha


(Homo sapiens (Human))		BDBM28558
PNG
(N,N-diethyl-12-methyl-8-(methylamino)-5-thia-3,7,1...)
Show SMILES CCN(CC)C(=O)c1nc2c(nc(NC)c3ncn(C)c23)s1
Show InChI InChI=1S/C14H18N6OS/c1-5-20(6-2)14(21)13-17-9-10-8(16-7-19(10)4)11(15-3)18-12(9)22-13/h7H,5-6H2,1-4H3,(H,15,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/a25



Bristol-Myers Squibb Company



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
* indicates data uncertainty>20%