Found 48 hits with Last Name = 'shinoyama' 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 |
|---|
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50200120
(CHEMBL260091 | CHIR-090 | US10875832, Compound ChI...)Show SMILES C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r| Show InChI InChI=1S/C24H27N3O5/c1-17(28)22(24(30)26-31)25-23(29)21-10-8-19(9-11-21)3-2-18-4-6-20(7-5-18)16-27-12-14-32-15-13-27/h4-11,17,22,28,31H,12-16H2,1H3,(H,25,29)(H,26,30)/t17-,22+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli LpxC using UDP-3-O-(R-3-hydroxymyristoyl)GlcNAc as substrate measured after 60 mins by fluorescence analysis |
ACS Med Chem Lett 7: 623-8 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00057
BindingDB Entry DOI: 10.7270/Q2DV1NWV |
More data for this
Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50501133
(CHEMBL3827314)Show SMILES ONC(=O)[C@@H]1CN(C(=O)O1)c1ccc(C#CC#CC2CC2)c(F)c1 |r| Show InChI InChI=1S/C17H13FN2O4/c18-14-9-13(20-10-15(16(21)19-23)24-17(20)22)8-7-12(14)4-2-1-3-11-5-6-11/h7-9,11,15,23H,5-6,10H2,(H,19,21)/t15-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli LpxC using UDP-3-O-(R-3-hydroxymyristoyl)GlcNAc as substrate measured after 60 mins by fluorescence analysis |
ACS Med Chem Lett 7: 623-8 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00057
BindingDB Entry DOI: 10.7270/Q2DV1NWV |
More data for this
Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50501144
(CHEMBL3827965)Show SMILES ONC(=O)[C@@H]1CN(C(=O)O1)c1ccc(cc1)C#CC#CC1CC1 |r| Show InChI InChI=1S/C17H14N2O4/c20-16(18-22)15-11-19(17(21)23-15)14-9-7-13(8-10-14)4-2-1-3-12-5-6-12/h7-10,12,15,22H,5-6,11H2,(H,18,20)/t15-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli LpxC using UDP-3-O-(R-3-hydroxymyristoyl)GlcNAc as substrate measured after 60 mins by fluorescence analysis |
ACS Med Chem Lett 7: 623-8 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00057
BindingDB Entry DOI: 10.7270/Q2DV1NWV |
More data for this
Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50501136
(CHEMBL3827345)Show SMILES OC[C@H]1C[C@@H]1C#CC#Cc1ccc(cc1)N1C[C@H](OC1=O)C(=O)NO |r| Show InChI InChI=1S/C18H16N2O5/c21-11-14-9-13(14)4-2-1-3-12-5-7-15(8-6-12)20-10-16(17(22)19-24)25-18(20)23/h5-8,13-14,16,21,24H,9-11H2,(H,19,22)/t13-,14+,16-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli LpxC using UDP-3-O-(R-3-hydroxymyristoyl)GlcNAc as substrate measured after 60 mins by fluorescence analysis |
ACS Med Chem Lett 7: 623-8 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00057
BindingDB Entry DOI: 10.7270/Q2DV1NWV |
More data for this
Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50501139
(CHEMBL3827962)Show SMILES ONC(=O)[C@@H]1CN(C(=O)O1)c1ccc(C#CC#CC2CC2)c(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C17H13N3O6/c21-16(18-23)15-10-19(17(22)26-15)13-8-7-12(14(9-13)20(24)25)4-2-1-3-11-5-6-11/h7-9,11,15,23H,5-6,10H2,(H,18,21)/t15-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli LpxC using UDP-3-O-(R-3-hydroxymyristoyl)GlcNAc as substrate measured after 60 mins by fluorescence analysis |
ACS Med Chem Lett 7: 623-8 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00057
BindingDB Entry DOI: 10.7270/Q2DV1NWV |
More data for this
Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50501135
(CHEMBL3827305)Show SMILES OCCCC#CC#Cc1ccc(cc1)N1C[C@H](OC1=O)C(=O)NO |r| Show InChI InChI=1S/C17H16N2O5/c20-11-5-3-1-2-4-6-13-7-9-14(10-8-13)19-12-15(16(21)18-23)24-17(19)22/h7-10,15,20,23H,3,5,11-12H2,(H,18,21)/t15-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli LpxC using UDP-3-O-(R-3-hydroxymyristoyl)GlcNAc as substrate measured after 60 mins by fluorescence analysis |
ACS Med Chem Lett 7: 623-8 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00057
BindingDB Entry DOI: 10.7270/Q2DV1NWV |
More data for this
Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50501145
(CHEMBL3828313)Show SMILES ONC(=O)[C@@H]1CN(C(=O)O1)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 |r| Show InChI InChI=1S/C23H23N3O5/c27-22(24-29)21-16-26(23(28)31-21)20-9-7-18(8-10-20)2-1-17-3-5-19(6-4-17)15-25-11-13-30-14-12-25/h3-10,21,29H,11-16H2,(H,24,27)/t21-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli LpxC using UDP-3-O-(R-3-hydroxymyristoyl)GlcNAc as substrate measured after 60 mins by fluorescence analysis |
ACS Med Chem Lett 7: 623-8 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00057
BindingDB Entry DOI: 10.7270/Q2DV1NWV |
More data for this
Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50501143
(CHEMBL3828674)Show SMILES OCCC#CC#Cc1ccc(cc1)N1C[C@H](OC1=O)C(=O)NO |r| Show InChI InChI=1S/C16H14N2O5/c19-10-4-2-1-3-5-12-6-8-13(9-7-12)18-11-14(15(20)17-22)23-16(18)21/h6-9,14,19,22H,4,10-11H2,(H,17,20)/t14-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli LpxC using UDP-3-O-(R-3-hydroxymyristoyl)GlcNAc as substrate measured after 60 mins by fluorescence analysis |
ACS Med Chem Lett 7: 623-8 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00057
BindingDB Entry DOI: 10.7270/Q2DV1NWV |
More data for this
Ligand-Target Pair | |
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 | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50501137
(CHEMBL3827730)Show SMILES ONC(=O)[C@@H]1CN(C(=O)O1)c1ccc(cc1F)C#CC#CC1CC1 |r| Show InChI InChI=1S/C17H13FN2O4/c18-13-9-12(4-2-1-3-11-5-6-11)7-8-14(13)20-10-15(16(21)19-23)24-17(20)22/h7-9,11,15,23H,5-6,10H2,(H,19,21)/t15-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| 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 Escherichia coli LpxC using UDP-3-O-(R-3-hydroxymyristoyl)GlcNAc as substrate measured after 60 mins by fluorescence analysis |
ACS Med Chem Lett 7: 623-8 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00057
BindingDB Entry DOI: 10.7270/Q2DV1NWV |
More data for this
Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50501146
(CHEMBL3827891)Show SMILES ONC(=O)[C@H]1CN(C(=O)O1)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 |r| Show InChI InChI=1S/C23H23N3O5/c27-22(24-29)21-16-26(23(28)31-21)20-9-7-18(8-10-20)2-1-17-3-5-19(6-4-17)15-25-11-13-30-14-12-25/h3-10,21,29H,11-16H2,(H,24,27)/t21-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli LpxC using UDP-3-O-(R-3-hydroxymyristoyl)GlcNAc as substrate measured after 60 mins by fluorescence analysis |
ACS Med Chem Lett 7: 623-8 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00057
BindingDB Entry DOI: 10.7270/Q2DV1NWV |
More data for this
Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50501138
(CHEMBL3827035)Show SMILES Nc1cc(ccc1C#CC#CC1CC1)N1C[C@H](OC1=O)C(=O)NO |r| Show InChI InChI=1S/C17H15N3O4/c18-14-9-13(20-10-15(16(21)19-23)24-17(20)22)8-7-12(14)4-2-1-3-11-5-6-11/h7-9,11,15,23H,5-6,10,18H2,(H,19,21)/t15-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli LpxC using UDP-3-O-(R-3-hydroxymyristoyl)GlcNAc as substrate measured after 60 mins by fluorescence analysis |
ACS Med Chem Lett 7: 623-8 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00057
BindingDB Entry DOI: 10.7270/Q2DV1NWV |
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)) | 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 | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50501134
(CHEMBL3827313)Show SMILES ONC(=O)[C@@H]1CN(C(=O)CO1)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 |r| Show InChI InChI=1S/C24H25N3O5/c28-23-17-32-22(24(29)25-30)16-27(23)21-9-7-19(8-10-21)2-1-18-3-5-20(6-4-18)15-26-11-13-31-14-12-26/h3-10,22,30H,11-17H2,(H,25,29)/t22-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli LpxC using UDP-3-O-(R-3-hydroxymyristoyl)GlcNAc as substrate measured after 60 mins by fluorescence analysis |
ACS Med Chem Lett 7: 623-8 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00057
BindingDB Entry DOI: 10.7270/Q2DV1NWV |
More data for this
Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50501140
(CHEMBL3828138)Show SMILES ONC(=O)[C@@H]1CN(C(=O)N1)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 |r| Show InChI InChI=1S/C23H24N4O4/c28-22(25-30)21-16-27(23(29)24-21)20-9-7-18(8-10-20)2-1-17-3-5-19(6-4-17)15-26-11-13-31-14-12-26/h3-10,21,30H,11-16H2,(H,24,29)(H,25,28)/t21-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli LpxC using UDP-3-O-(R-3-hydroxymyristoyl)GlcNAc as substrate measured after 60 mins by fluorescence analysis |
ACS Med Chem Lett 7: 623-8 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00057
BindingDB Entry DOI: 10.7270/Q2DV1NWV |
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 | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50501141
(CHEMBL3828670)Show SMILES ONC(=O)c1ccc(=O)n(c1)-c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C25H23N3O4/c29-24-12-9-22(25(30)26-31)18-28(24)23-10-7-20(8-11-23)2-1-19-3-5-21(6-4-19)17-27-13-15-32-16-14-27/h3-12,18,31H,13-17H2,(H,26,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli LpxC using UDP-3-O-(R-3-hydroxymyristoyl)GlcNAc as substrate measured after 60 mins by fluorescence analysis |
ACS Med Chem Lett 7: 623-8 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00057
BindingDB Entry DOI: 10.7270/Q2DV1NWV |
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 | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50501142
(CHEMBL3828607)Show SMILES COc1cc(ccc1N1C[C@H](OC1=O)C(=O)NO)C#CC#CC1CC1 |r| Show InChI InChI=1S/C18H16N2O5/c1-24-15-10-13(5-3-2-4-12-6-7-12)8-9-14(15)20-11-16(17(21)19-23)25-18(20)22/h8-10,12,16,23H,6-7,11H2,1H3,(H,19,21)/t16-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyorin Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli LpxC using UDP-3-O-(R-3-hydroxymyristoyl)GlcNAc as substrate measured after 60 mins by fluorescence analysis |
ACS Med Chem Lett 7: 623-8 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00057
BindingDB Entry DOI: 10.7270/Q2DV1NWV |
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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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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