Found 33 hits with Last Name = 'nagao' and Initial = 'm' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50338244
(6-(4-fluorobenzyl)-2-ureido-5,6-dihydro-4H-thieno[...)Show SMILES NC(=O)Nc1sc-2c(CCc3c-2cnn3Cc2ccc(F)cc2)c1C(N)=O Show InChI InChI=1S/C18H16FN5O2S/c19-10-3-1-9(2-4-10)8-24-13-6-5-11-14(16(20)25)17(23-18(21)26)27-15(11)12(13)7-22-24/h1-4,7H,5-6,8H2,(H2,20,25)(H3,21,23,26) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human IKK-beta by substrate phosphorylation assay |
Bioorg Med Chem Lett 21: 1758-62 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.069
BindingDB Entry DOI: 10.7270/Q2TX3FPV |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50338237
(7-(1-(4-chloro-2-fluorobenzyl)piperidin-3-yl)-2-ur...)Show SMILES NC(=O)Nc1sc-2c(CCc3nn(cc-23)C2CCCN(Cc3ccc(Cl)cc3F)C2)c1C(N)=O Show InChI InChI=1S/C23H24ClFN6O2S/c24-13-4-3-12(17(25)8-13)9-30-7-1-2-14(10-30)31-11-16-18(29-31)6-5-15-19(21(26)32)22(28-23(27)33)34-20(15)16/h3-4,8,11,14H,1-2,5-7,9-10H2,(H2,26,32)(H3,27,28,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human IKK-beta by substrate phosphorylation assay |
Bioorg Med Chem Lett 21: 1758-62 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.069
BindingDB Entry DOI: 10.7270/Q2TX3FPV |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50338239
(7-(1-(4-amino-2-fluorobenzyl)piperidin-3-yl)-2-ure...)Show SMILES NC(=O)Nc1sc-2c(CCc3nn(cc-23)C2CCCN(Cc3ccc(N)cc3F)C2)c1C(N)=O Show InChI InChI=1S/C23H26FN7O2S/c24-17-8-13(25)4-3-12(17)9-30-7-1-2-14(10-30)31-11-16-18(29-31)6-5-15-19(21(26)32)22(28-23(27)33)34-20(15)16/h3-4,8,11,14H,1-2,5-7,9-10,25H2,(H2,26,32)(H3,27,28,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human IKK-beta by substrate phosphorylation assay |
Bioorg Med Chem Lett 21: 1758-62 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.069
BindingDB Entry DOI: 10.7270/Q2TX3FPV |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50338243
(7-(4-fluorobenzyl)-2-ureido-5,7-dihydro-4H-thieno[...)Show SMILES NC(=O)Nc1sc-2c(CCc3nn(Cc4ccc(F)cc4)cc-23)c1C(N)=O Show InChI InChI=1S/C18H16FN5O2S/c19-10-3-1-9(2-4-10)7-24-8-12-13(23-24)6-5-11-14(16(20)25)17(22-18(21)26)27-15(11)12/h1-4,8H,5-7H2,(H2,20,25)(H3,21,22,26) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human IKK-beta by substrate phosphorylation assay |
Bioorg Med Chem Lett 21: 1758-62 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.069
BindingDB Entry DOI: 10.7270/Q2TX3FPV |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50338260
(7-(1-(2-fluoro-4-hydroxybenzyl)piperidin-3-yl)-2-u...)Show SMILES NC(=O)Nc1sc-2c(CCc3nn(cc-23)C2CCCN(Cc3ccc(O)cc3F)C2)c1C(N)=O Show InChI InChI=1S/C23H25FN6O3S/c24-17-8-14(31)4-3-12(17)9-29-7-1-2-13(10-29)30-11-16-18(28-30)6-5-15-19(21(25)32)22(27-23(26)33)34-20(15)16/h3-4,8,11,13,31H,1-2,5-7,9-10H2,(H2,25,32)(H3,26,27,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human IKK-beta by substrate phosphorylation assay |
Bioorg Med Chem Lett 21: 1758-62 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.069
BindingDB Entry DOI: 10.7270/Q2TX3FPV |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50338238
(7-(1-(2,4-difluorobenzyl)piperidin-3-yl)-2-ureido-...)Show SMILES NC(=O)Nc1sc-2c(CCc3nn(cc-23)C2CCCN(Cc3ccc(F)cc3F)C2)c1C(N)=O Show InChI InChI=1S/C23H24F2N6O2S/c24-13-4-3-12(17(25)8-13)9-30-7-1-2-14(10-30)31-11-16-18(29-31)6-5-15-19(21(26)32)22(28-23(27)33)34-20(15)16/h3-4,8,11,14H,1-2,5-7,9-10H2,(H2,26,32)(H3,27,28,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human IKK-beta by substrate phosphorylation assay |
Bioorg Med Chem Lett 21: 1758-62 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.069
BindingDB Entry DOI: 10.7270/Q2TX3FPV |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50338240
(7-(1-(2-fluoro-4-methoxybenzyl)piperidin-3-yl)-2-u...)Show SMILES COc1ccc(CN2CCCC(C2)n2cc-3c(CCc4c-3sc(NC(N)=O)c4C(N)=O)n2)c(F)c1 Show InChI InChI=1S/C24H27FN6O3S/c1-34-15-5-4-13(18(25)9-15)10-30-8-2-3-14(11-30)31-12-17-19(29-31)7-6-16-20(22(26)32)23(28-24(27)33)35-21(16)17/h4-5,9,12,14H,2-3,6-8,10-11H2,1H3,(H2,26,32)(H3,27,28,33) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human IKK-beta by substrate phosphorylation assay |
Bioorg Med Chem Lett 21: 1758-62 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.069
BindingDB Entry DOI: 10.7270/Q2TX3FPV |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50338235
((+/-)-7-(1-benzylpiperidin-3-yl)-2-ureido-5,7-dihy...)Show SMILES NC(=O)Nc1sc-2c(CCc3nn(cc-23)C2CCCN(Cc3ccccc3)C2)c1C(N)=O Show InChI InChI=1S/C23H26N6O2S/c24-21(30)19-16-8-9-18-17(20(16)32-22(19)26-23(25)31)13-29(27-18)15-7-4-10-28(12-15)11-14-5-2-1-3-6-14/h1-3,5-6,13,15H,4,7-12H2,(H2,24,30)(H3,25,26,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human IKK-beta by substrate phosphorylation assay |
Bioorg Med Chem Lett 21: 1758-62 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.069
BindingDB Entry DOI: 10.7270/Q2TX3FPV |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50338242
(6-propyl-2-ureido-5,6-dihydro-4H-thieno[2,3-e]inda...)Show InChI InChI=1S/C14H17N5O2S/c1-2-5-19-9-4-3-7-10(12(15)20)13(18-14(16)21)22-11(7)8(9)6-17-19/h6H,2-5H2,1H3,(H2,15,20)(H3,16,18,21) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human IKK-beta by substrate phosphorylation assay |
Bioorg Med Chem Lett 21: 1758-62 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.069
BindingDB Entry DOI: 10.7270/Q2TX3FPV |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50338251
(7-(pyridin-4-ylmethyl)-2-ureido-5,7-dihydro-4H-thi...)Show SMILES NC(=O)Nc1sc-2c(CCc3nn(Cc4ccncc4)cc-23)c1C(N)=O Show InChI InChI=1S/C17H16N6O2S/c18-15(24)13-10-1-2-12-11(14(10)26-16(13)21-17(19)25)8-23(22-12)7-9-3-5-20-6-4-9/h3-6,8H,1-2,7H2,(H2,18,24)(H3,19,21,25) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human IKK-beta by substrate phosphorylation assay |
Bioorg Med Chem Lett 21: 1758-62 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.069
BindingDB Entry DOI: 10.7270/Q2TX3FPV |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50338245
(7-isopropyl-2-ureido-5,7-dihydro-4H-thieno[2,3-e]i...)Show InChI InChI=1S/C14H17N5O2S/c1-6(2)19-5-8-9(18-19)4-3-7-10(12(15)20)13(17-14(16)21)22-11(7)8/h5-6H,3-4H2,1-2H3,(H2,15,20)(H3,16,17,21) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human IKK-beta by substrate phosphorylation assay |
Bioorg Med Chem Lett 21: 1758-62 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.069
BindingDB Entry DOI: 10.7270/Q2TX3FPV |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50338236
(7-(1-(4-chlorobenzyl)piperidin-3-yl)-2-ureido-5,7-...)Show SMILES NC(=O)Nc1sc-2c(CCc3nn(cc-23)C2CCCN(Cc3ccc(Cl)cc3)C2)c1C(N)=O Show InChI InChI=1S/C23H25ClN6O2S/c24-14-5-3-13(4-6-14)10-29-9-1-2-15(11-29)30-12-17-18(28-30)8-7-16-19(21(25)31)22(27-23(26)32)33-20(16)17/h3-6,12,15H,1-2,7-11H2,(H2,25,31)(H3,26,27,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human IKK-beta by substrate phosphorylation assay |
Bioorg Med Chem Lett 21: 1758-62 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.069
BindingDB Entry DOI: 10.7270/Q2TX3FPV |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50338246
(7-butyl-2-ureido-5,7-dihydro-4H-thieno[2,3-e]indaz...)Show InChI InChI=1S/C15H19N5O2S/c1-2-3-6-20-7-9-10(19-20)5-4-8-11(13(16)21)14(18-15(17)22)23-12(8)9/h7H,2-6H2,1H3,(H2,16,21)(H3,17,18,22) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human IKK-beta by substrate phosphorylation assay |
Bioorg Med Chem Lett 21: 1758-62 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.069
BindingDB Entry DOI: 10.7270/Q2TX3FPV |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50338241
(7-propyl-2-ureido-5,7-dihydro-4H-thieno[2,3-e]inda...)Show InChI InChI=1S/C14H17N5O2S/c1-2-5-19-6-8-9(18-19)4-3-7-10(12(15)20)13(17-14(16)21)22-11(7)8/h6H,2-5H2,1H3,(H2,15,20)(H3,16,17,21) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human IKK-beta by substrate phosphorylation assay |
Bioorg Med Chem Lett 21: 1758-62 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.069
BindingDB Entry DOI: 10.7270/Q2TX3FPV |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50338256
((+/-)-7-(1-benzylpyrrolidin-3-yl)-2-ureido-5,7-dih...)Show SMILES NC(=O)Nc1sc-2c(CCc3nn(cc-23)C2CCN(Cc3ccccc3)C2)c1C(N)=O Show InChI InChI=1S/C22H24N6O2S/c23-20(29)18-15-6-7-17-16(19(15)31-21(18)25-22(24)30)12-28(26-17)14-8-9-27(11-14)10-13-4-2-1-3-5-13/h1-5,12,14H,6-11H2,(H2,23,29)(H3,24,25,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human IKK-beta by substrate phosphorylation assay |
Bioorg Med Chem Lett 21: 1758-62 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.069
BindingDB Entry DOI: 10.7270/Q2TX3FPV |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50338259
(7-(1-(2,4,5-trifluorobenzyl)piperidin-3-yl)-2-urei...)Show SMILES NC(=O)Nc1sc-2c(CCc3nn(cc-23)C2CCCN(Cc3cc(F)c(F)cc3F)C2)c1C(N)=O Show InChI InChI=1S/C23H23F3N6O2S/c24-15-7-17(26)16(25)6-11(15)8-31-5-1-2-12(9-31)32-10-14-18(30-32)4-3-13-19(21(27)33)22(29-23(28)34)35-20(13)14/h6-7,10,12H,1-5,8-9H2,(H2,27,33)(H3,28,29,34) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human IKK-beta by substrate phosphorylation assay |
Bioorg Med Chem Lett 21: 1758-62 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.069
BindingDB Entry DOI: 10.7270/Q2TX3FPV |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50338248
(7-benzyl-2-ureido-5,7-dihydro-4H-thieno[2,3-e]inda...)Show SMILES NC(=O)Nc1sc-2c(CCc3nn(Cc4ccccc4)cc-23)c1C(N)=O Show InChI InChI=1S/C18H17N5O2S/c19-16(24)14-11-6-7-13-12(15(11)26-17(14)21-18(20)25)9-23(22-13)8-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H2,19,24)(H3,20,21,25) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human IKK-beta by substrate phosphorylation assay |
Bioorg Med Chem Lett 21: 1758-62 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.069
BindingDB Entry DOI: 10.7270/Q2TX3FPV |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50338249
(7-(pyridin-2-ylmethyl)-2-ureido-5,7-dihydro-4H-thi...)Show SMILES NC(=O)Nc1sc-2c(CCc3nn(Cc4ccccn4)cc-23)c1C(N)=O Show InChI InChI=1S/C17H16N6O2S/c18-15(24)13-10-4-5-12-11(14(10)26-16(13)21-17(19)25)8-23(22-12)7-9-3-1-2-6-20-9/h1-3,6,8H,4-5,7H2,(H2,18,24)(H3,19,21,25) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human IKK-beta by substrate phosphorylation assay |
Bioorg Med Chem Lett 21: 1758-62 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.069
BindingDB Entry DOI: 10.7270/Q2TX3FPV |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50338254
(7-(2-(benzyl(methyl)amino)ethyl)-2-ureido-5,7-dihy...)Show SMILES CN(CCn1cc-2c(CCc3c-2sc(NC(N)=O)c3C(N)=O)n1)Cc1ccccc1 Show InChI InChI=1S/C21H24N6O2S/c1-26(11-13-5-3-2-4-6-13)9-10-27-12-15-16(25-27)8-7-14-17(19(22)28)20(24-21(23)29)30-18(14)15/h2-6,12H,7-11H2,1H3,(H2,22,28)(H3,23,24,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human IKK-beta by substrate phosphorylation assay |
Bioorg Med Chem Lett 21: 1758-62 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.069
BindingDB Entry DOI: 10.7270/Q2TX3FPV |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50338257
(7-(1-benzylpiperidin-4-yl)-2-ureido-5,7-dihydro-4H...)Show SMILES NC(=O)Nc1sc-2c(CCc3nn(cc-23)C2CCN(Cc3ccccc3)CC2)c1C(N)=O Show InChI InChI=1S/C23H26N6O2S/c24-21(30)19-16-6-7-18-17(20(16)32-22(19)26-23(25)31)13-29(27-18)15-8-10-28(11-9-15)12-14-4-2-1-3-5-14/h1-5,13,15H,6-12H2,(H2,24,30)(H3,25,26,31) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human IKK-beta by substrate phosphorylation assay |
Bioorg Med Chem Lett 21: 1758-62 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.069
BindingDB Entry DOI: 10.7270/Q2TX3FPV |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50338250
(7-(pyridin-3-ylmethyl)-2-ureido-5,7-dihydro-4H-thi...)Show SMILES NC(=O)Nc1sc-2c(CCc3nn(Cc4cccnc4)cc-23)c1C(N)=O Show InChI InChI=1S/C17H16N6O2S/c18-15(24)13-10-3-4-12-11(14(10)26-16(13)21-17(19)25)8-23(22-12)7-9-2-1-5-20-6-9/h1-2,5-6,8H,3-4,7H2,(H2,18,24)(H3,19,21,25) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human IKK-beta by substrate phosphorylation assay |
Bioorg Med Chem Lett 21: 1758-62 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.069
BindingDB Entry DOI: 10.7270/Q2TX3FPV |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50338255
(7-(1-benzylazetidin-3-yl)-2-ureido-5,7-dihydro-4H-...)Show SMILES NC(=O)Nc1sc-2c(CCc3nn(cc-23)C2CN(Cc3ccccc3)C2)c1C(N)=O Show InChI InChI=1S/C21H22N6O2S/c22-19(28)17-14-6-7-16-15(18(14)30-20(17)24-21(23)29)11-27(25-16)13-9-26(10-13)8-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H2,22,28)(H3,23,24,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human IKK-beta by substrate phosphorylation assay |
Bioorg Med Chem Lett 21: 1758-62 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.069
BindingDB Entry DOI: 10.7270/Q2TX3FPV |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50338247
(7-hexyl-2-ureido-5,7-dihydro-4H-thieno[2,3-e]indaz...)Show SMILES CCCCCCn1cc-2c(CCc3c-2sc(NC(N)=O)c3C(N)=O)n1 Show InChI InChI=1S/C17H23N5O2S/c1-2-3-4-5-8-22-9-11-12(21-22)7-6-10-13(15(18)23)16(20-17(19)24)25-14(10)11/h9H,2-8H2,1H3,(H2,18,23)(H3,19,20,24) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human IKK-beta by substrate phosphorylation assay |
Bioorg Med Chem Lett 21: 1758-62 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.069
BindingDB Entry DOI: 10.7270/Q2TX3FPV |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50338253
(7-(2-(dimethylamino)ethyl)-2-ureido-5,7-dihydro-4H...)Show SMILES CN(C)CCn1cc-2c(CCc3c-2sc(NC(N)=O)c3C(N)=O)n1 Show InChI InChI=1S/C15H20N6O2S/c1-20(2)5-6-21-7-9-10(19-21)4-3-8-11(13(16)22)14(18-15(17)23)24-12(8)9/h7H,3-6H2,1-2H3,(H2,16,22)(H3,17,18,23) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human IKK-beta by substrate phosphorylation assay |
Bioorg Med Chem Lett 21: 1758-62 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.069
BindingDB Entry DOI: 10.7270/Q2TX3FPV |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50338239
(7-(1-(4-amino-2-fluorobenzyl)piperidin-3-yl)-2-ure...)Show SMILES NC(=O)Nc1sc-2c(CCc3nn(cc-23)C2CCCN(Cc3ccc(N)cc3F)C2)c1C(N)=O Show InChI InChI=1S/C23H26FN7O2S/c24-17-8-13(25)4-3-12(17)9-30-7-1-2-14(10-30)31-11-16-18(29-31)6-5-15-19(21(26)32)22(28-23(27)33)34-20(15)16/h3-4,8,11,14H,1-2,5-7,9-10,25H2,(H2,26,32)(H3,27,28,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human IKK-alpha by substrate phosphorylation assay |
Bioorg Med Chem Lett 21: 1758-62 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.069
BindingDB Entry DOI: 10.7270/Q2TX3FPV |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50338258
((+/-)-7-(1-benzylazepan-3-yl)-2-ureido-5,7-dihydro...)Show SMILES NC(=O)Nc1sc-2c(CCc3nn(cc-23)C2CCCCN(Cc3ccccc3)C2)c1C(N)=O Show InChI InChI=1S/C24H28N6O2S/c25-22(31)20-17-9-10-19-18(21(17)33-23(20)27-24(26)32)14-30(28-19)16-8-4-5-11-29(13-16)12-15-6-2-1-3-7-15/h1-3,6-7,14,16H,4-5,8-13H2,(H2,25,31)(H3,26,27,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human IKK-beta by substrate phosphorylation assay |
Bioorg Med Chem Lett 21: 1758-62 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.069
BindingDB Entry DOI: 10.7270/Q2TX3FPV |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50338261
(7-(1-(4-acetamido-2-fluorobenzyl)piperidin-3-yl)-2...)Show SMILES CC(=O)Nc1ccc(CN2CCCC(C2)n2cc-3c(CCc4c-3sc(NC(N)=O)c4C(N)=O)n2)c(F)c1 Show InChI InChI=1S/C25H28FN7O3S/c1-13(34)29-15-5-4-14(19(26)9-15)10-32-8-2-3-16(11-32)33-12-18-20(31-33)7-6-17-21(23(27)35)24(30-25(28)36)37-22(17)18/h4-5,9,12,16H,2-3,6-8,10-11H2,1H3,(H2,27,35)(H,29,34)(H3,28,30,36) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human IKK-beta by substrate phosphorylation assay |
Bioorg Med Chem Lett 21: 1758-62 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.069
BindingDB Entry DOI: 10.7270/Q2TX3FPV |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50338252
(7-(2-methoxyethyl)-2-ureido-5,7-dihydro-4H-thieno[...)Show InChI InChI=1S/C14H17N5O3S/c1-22-5-4-19-6-8-9(18-19)3-2-7-10(12(15)20)13(17-14(16)21)23-11(7)8/h6H,2-5H2,1H3,(H2,15,20)(H3,16,17,21) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human IKK-beta by substrate phosphorylation assay |
Bioorg Med Chem Lett 21: 1758-62 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.069
BindingDB Entry DOI: 10.7270/Q2TX3FPV |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50338237
(7-(1-(4-chloro-2-fluorobenzyl)piperidin-3-yl)-2-ur...)Show SMILES NC(=O)Nc1sc-2c(CCc3nn(cc-23)C2CCCN(Cc3ccc(Cl)cc3F)C2)c1C(N)=O Show InChI InChI=1S/C23H24ClFN6O2S/c24-13-4-3-12(17(25)8-13)9-30-7-1-2-14(10-30)31-11-16-18(29-31)6-5-15-19(21(26)32)22(28-23(27)33)34-20(15)16/h3-4,8,11,14H,1-2,5-7,9-10H2,(H2,26,32)(H3,27,28,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human IKK-alpha by substrate phosphorylation assay |
Bioorg Med Chem Lett 21: 1758-62 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.069
BindingDB Entry DOI: 10.7270/Q2TX3FPV |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50338235
((+/-)-7-(1-benzylpiperidin-3-yl)-2-ureido-5,7-dihy...)Show SMILES NC(=O)Nc1sc-2c(CCc3nn(cc-23)C2CCCN(Cc3ccccc3)C2)c1C(N)=O Show InChI InChI=1S/C23H26N6O2S/c24-21(30)19-16-8-9-18-17(20(16)32-22(19)26-23(25)31)13-29(27-18)15-7-4-10-28(12-15)11-14-5-2-1-3-6-14/h1-3,5-6,13,15H,4,7-12H2,(H2,24,30)(H3,25,26,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human IKK-alpha by substrate phosphorylation assay |
Bioorg Med Chem Lett 21: 1758-62 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.069
BindingDB Entry DOI: 10.7270/Q2TX3FPV |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50338236
(7-(1-(4-chlorobenzyl)piperidin-3-yl)-2-ureido-5,7-...)Show SMILES NC(=O)Nc1sc-2c(CCc3nn(cc-23)C2CCCN(Cc3ccc(Cl)cc3)C2)c1C(N)=O Show InChI InChI=1S/C23H25ClN6O2S/c24-14-5-3-13(4-6-14)10-29-9-1-2-15(11-29)30-12-17-18(28-30)8-7-16-19(21(25)31)22(27-23(26)32)33-20(16)17/h3-6,12,15H,1-2,7-11H2,(H2,25,31)(H3,26,27,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human IKK-alpha by substrate phosphorylation assay |
Bioorg Med Chem Lett 21: 1758-62 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.069
BindingDB Entry DOI: 10.7270/Q2TX3FPV |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50338238
(7-(1-(2,4-difluorobenzyl)piperidin-3-yl)-2-ureido-...)Show SMILES NC(=O)Nc1sc-2c(CCc3nn(cc-23)C2CCCN(Cc3ccc(F)cc3F)C2)c1C(N)=O Show InChI InChI=1S/C23H24F2N6O2S/c24-13-4-3-12(17(25)8-13)9-30-7-1-2-14(10-30)31-11-16-18(29-31)6-5-15-19(21(26)32)22(28-23(27)33)34-20(15)16/h3-4,8,11,14H,1-2,5-7,9-10H2,(H2,26,32)(H3,27,28,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human IKK-alpha by substrate phosphorylation assay |
Bioorg Med Chem Lett 21: 1758-62 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.069
BindingDB Entry DOI: 10.7270/Q2TX3FPV |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50338240
(7-(1-(2-fluoro-4-methoxybenzyl)piperidin-3-yl)-2-u...)Show SMILES COc1ccc(CN2CCCC(C2)n2cc-3c(CCc4c-3sc(NC(N)=O)c4C(N)=O)n2)c(F)c1 Show InChI InChI=1S/C24H27FN6O3S/c1-34-15-5-4-13(18(25)9-15)10-30-8-2-3-14(11-30)31-12-17-19(29-31)7-6-16-20(22(26)32)23(28-24(27)33)35-21(16)17/h4-5,9,12,14H,2-3,6-8,10-11H2,1H3,(H2,26,32)(H3,27,28,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of human IKK-alpha by substrate phosphorylation assay |
Bioorg Med Chem Lett 21: 1758-62 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.069
BindingDB Entry DOI: 10.7270/Q2TX3FPV |
More data for this
Ligand-Target Pair | |
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