Found 49 hits Enz. Inhib. hit(s) with all data for entry = 50040522 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)) | BDBM50395536
(CHEMBL2164412)Show SMILES O=S(=O)(NC1CCS(=O)(=O)CC1)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1CC1 Show InChI InChI=1S/C21H23N3O4S2/c25-29(26)11-8-16(9-12-29)24-30(27,28)17-5-3-14(4-6-17)18-7-10-22-21-19(18)13-20(23-21)15-1-2-15/h3-7,10,13,15-16,24H,1-2,8-9,11-12H2,(H,22,23) | 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 | 3.98 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK2 in presence of 1 uM ATP |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50395538
(CHEMBL2164410)Show SMILES CCc1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NC1CCS(=O)(=O)CC1 Show InChI InChI=1S/C20H23N3O4S2/c1-2-15-13-19-18(7-10-21-20(19)22-15)14-3-5-17(6-4-14)29(26,27)23-16-8-11-28(24,25)12-9-16/h3-7,10,13,16,23H,2,8-9,11-12H2,1H3,(H,21,22) | 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 | 5.01 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK2 in presence of 1 uM ATP |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50395537
(CHEMBL2164411)Show SMILES CC(C)c1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NC1CCS(=O)(=O)CC1 Show InChI InChI=1S/C21H25N3O4S2/c1-14(2)20-13-19-18(7-10-22-21(19)23-20)15-3-5-17(6-4-15)30(27,28)24-16-8-11-29(25,26)12-9-16/h3-7,10,13-14,16,24H,8-9,11-12H2,1-2H3,(H,22,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 6.31 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK1 in presence of 1 uM ATP |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50395524
(CHEMBL2164424)Show SMILES CC(C)(O)CNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1CC1 Show InChI InChI=1S/C20H23N3O3S/c1-20(2,24)12-22-27(25,26)15-7-5-13(6-8-15)16-9-10-21-19-17(16)11-18(23-19)14-3-4-14/h5-11,14,22,24H,3-4,12H2,1-2H3,(H,21,23) | 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 | 6.31 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK2 in presence of 1 uM ATP |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50395538
(CHEMBL2164410)Show SMILES CCc1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NC1CCS(=O)(=O)CC1 Show InChI InChI=1S/C20H23N3O4S2/c1-2-15-13-19-18(7-10-21-20(19)22-15)14-3-5-17(6-4-14)29(26,27)23-16-8-11-28(24,25)12-9-16/h3-7,10,13,16,23H,2,8-9,11-12H2,1H3,(H,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.31 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK1 in presence of 1 uM ATP |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50395537
(CHEMBL2164411)Show SMILES CC(C)c1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NC1CCS(=O)(=O)CC1 Show InChI InChI=1S/C21H25N3O4S2/c1-14(2)20-13-19-18(7-10-22-21(19)23-20)15-3-5-17(6-4-15)30(27,28)24-16-8-11-29(25,26)12-9-16/h3-7,10,13-14,16,24H,8-9,11-12H2,1-2H3,(H,22,23) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 6.31 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK2 in presence of 1 uM ATP |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50395536
(CHEMBL2164412)Show SMILES O=S(=O)(NC1CCS(=O)(=O)CC1)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1CC1 Show InChI InChI=1S/C21H23N3O4S2/c25-29(26)11-8-16(9-12-29)24-30(27,28)17-5-3-14(4-6-17)18-7-10-22-21-19(18)13-20(23-21)15-1-2-15/h3-7,10,13,15-16,24H,1-2,8-9,11-12H2,(H,22,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.31 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK1 in presence of 1 uM ATP |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50395535
(CHEMBL2164413)Show SMILES CC(C)(C)c1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NC1CCS(=O)(=O)CC1 Show InChI InChI=1S/C22H27N3O4S2/c1-22(2,3)20-14-19-18(8-11-23-21(19)24-20)15-4-6-17(7-5-15)31(28,29)25-16-9-12-30(26,27)13-10-16/h4-8,11,14,16,25H,9-10,12-13H2,1-3H3,(H,23,24) | 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 | 7.94 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK2 in presence of 1 uM ATP |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50395531
(CHEMBL2164417)Show SMILES Cc1cc2c(ccnc2[nH]1)-c1ccc(nc1)S(=O)(=O)NC1CCS(=O)(=O)CC1 Show InChI InChI=1S/C18H20N4O4S2/c1-12-10-16-15(4-7-19-18(16)21-12)13-2-3-17(20-11-13)28(25,26)22-14-5-8-27(23,24)9-6-14/h2-4,7,10-11,14,22H,5-6,8-9H2,1H3,(H,19,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.94 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK1 in presence of 1 uM ATP |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50395522
(CHEMBL2164426)Show SMILES C[C@@H](CO)NS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1CC1 |r| Show InChI InChI=1S/C19H21N3O3S/c1-12(11-23)22-26(24,25)15-6-4-13(5-7-15)16-8-9-20-19-17(16)10-18(21-19)14-2-3-14/h4-10,12,14,22-23H,2-3,11H2,1H3,(H,20,21)/t12-/m0/s1 | 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 | 7.94 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK2 in presence of 1 uM ATP |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50395526
(CHEMBL2164421)Show SMILES CC(C)c1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NCCO Show InChI InChI=1S/C18H21N3O3S/c1-12(2)17-11-16-15(7-8-19-18(16)21-17)13-3-5-14(6-4-13)25(23,24)20-9-10-22/h3-8,11-12,20,22H,9-10H2,1-2H3,(H,19,21) | 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 | 7.94 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK2 in presence of 1 uM ATP |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50395520
(CHEMBL2164422)Show SMILES OCCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1CC1 Show InChI InChI=1S/C18H19N3O3S/c22-10-9-20-25(23,24)14-5-3-12(4-6-14)15-7-8-19-18-16(15)11-17(21-18)13-1-2-13/h3-8,11,13,20,22H,1-2,9-10H2,(H,19,21) | 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 | 7.94 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK2 in presence of 1 uM ATP |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50395523
(CHEMBL2164425)Show SMILES Cc1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NCC(C)(C)O Show InChI InChI=1S/C18H21N3O3S/c1-12-10-16-15(8-9-19-17(16)21-12)13-4-6-14(7-5-13)25(23,24)20-11-18(2,3)22/h4-10,20,22H,11H2,1-3H3,(H,19,21) | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK2 in presence of 1 uM ATP |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50395531
(CHEMBL2164417)Show SMILES Cc1cc2c(ccnc2[nH]1)-c1ccc(nc1)S(=O)(=O)NC1CCS(=O)(=O)CC1 Show InChI InChI=1S/C18H20N4O4S2/c1-12-10-16-15(4-7-19-18(16)21-12)13-2-3-17(20-11-13)28(25,26)22-14-5-8-27(23,24)9-6-14/h2-4,7,10-11,14,22H,5-6,8-9H2,1H3,(H,19,21) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 12.6 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK2 in presence of 1 uM ATP |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50395539
(CHEMBL483165)Show SMILES Cc1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NC1CCS(=O)(=O)CC1 Show InChI InChI=1S/C19H21N3O4S2/c1-13-12-18-17(6-9-20-19(18)21-13)14-2-4-16(5-3-14)28(25,26)22-15-7-10-27(23,24)11-8-15/h2-6,9,12,15,22H,7-8,10-11H2,1H3,(H,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 12.6 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK1 in presence of 1 uM ATP |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50395527
(CHEMBL2164420)Show SMILES OCCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C(F)(F)F Show InChI InChI=1S/C16H14F3N3O3S/c17-16(18,19)14-9-13-12(5-6-20-15(13)22-14)10-1-3-11(4-2-10)26(24,25)21-7-8-23/h1-6,9,21,23H,7-8H2,(H,20,22) | 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 | 15.8 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK2 in presence of 1 uM ATP |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50395532
(CHEMBL2164416)Show SMILES O=S(=O)(NC1CCS(=O)(=O)CC1)c1ccc(cc1)-c1ccnc2[nH]c(Cn3ccnn3)cc12 Show InChI InChI=1S/C21H22N6O4S2/c28-32(29)11-6-16(7-12-32)25-33(30,31)18-3-1-15(2-4-18)19-5-8-22-21-20(19)13-17(24-21)14-27-10-9-23-26-27/h1-5,8-10,13,16,25H,6-7,11-12,14H2,(H,22,24) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 15.8 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK2 in presence of 1 uM ATP |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50395533
(CHEMBL2164415)Show SMILES O=S(=O)(NC1CCS(=O)(=O)CC1)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1CCNCC1 Show InChI InChI=1S/C23H28N4O4S2/c28-32(29)13-8-18(9-14-32)27-33(30,31)19-3-1-16(2-4-19)20-7-12-25-23-21(20)15-22(26-23)17-5-10-24-11-6-17/h1-4,7,12,15,17-18,24,27H,5-6,8-11,13-14H2,(H,25,26) | 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 | 15.8 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK2 in presence of 1 uM ATP |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50395539
(CHEMBL483165)Show SMILES Cc1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NC1CCS(=O)(=O)CC1 Show InChI InChI=1S/C19H21N3O4S2/c1-13-12-18-17(6-9-20-19(18)21-13)14-2-4-16(5-3-14)28(25,26)22-15-7-10-27(23,24)11-8-15/h2-6,9,12,15,22H,7-8,10-11H2,1H3,(H,20,21) | 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 | 19.9 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK2 in presence of 1 uM ATP |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50395528
(CHEMBL483557)Show SMILES Cc1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NCCO Show InChI InChI=1S/C16H17N3O3S/c1-11-10-15-14(6-7-17-16(15)19-11)12-2-4-13(5-3-12)23(21,22)18-8-9-20/h2-7,10,18,20H,8-9H2,1H3,(H,17,19) | 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 | 19.9 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK2 in presence of 1 uM ATP |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50395525
(CHEMBL2164423)Show SMILES CC(C)(C)c1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NCCO Show InChI InChI=1S/C19H23N3O3S/c1-19(2,3)17-12-16-15(8-9-20-18(16)22-17)13-4-6-14(7-5-13)26(24,25)21-10-11-23/h4-9,12,21,23H,10-11H2,1-3H3,(H,20,22) | 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 | 19.9 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK2 in presence of 1 uM ATP |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50395521
(CHEMBL2164427)Show SMILES C[C@@H](CO)NS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C(F)(F)F |r| Show InChI InChI=1S/C17H16F3N3O3S/c1-10(9-24)23-27(25,26)12-4-2-11(3-5-12)13-6-7-21-16-14(13)8-15(22-16)17(18,19)20/h2-8,10,23-24H,9H2,1H3,(H,21,22)/t10-/m0/s1 | 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 | 19.9 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK2 in presence of 1 uM ATP |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50395534
(CHEMBL2164414)Show SMILES CN(C)Cc1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NC1CCS(=O)(=O)CC1 Show InChI InChI=1S/C21H26N4O4S2/c1-25(2)14-17-13-20-19(7-10-22-21(20)23-17)15-3-5-18(6-4-15)31(28,29)24-16-8-11-30(26,27)12-9-16/h3-7,10,13,16,24H,8-9,11-12,14H2,1-2H3,(H,22,23) | 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 | 19.9 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK2 in presence of 1 uM ATP |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50395535
(CHEMBL2164413)Show SMILES CC(C)(C)c1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NC1CCS(=O)(=O)CC1 Show InChI InChI=1S/C22H27N3O4S2/c1-22(2,3)20-14-19-18(8-11-23-21(19)24-20)15-4-6-17(7-5-15)31(28,29)25-16-9-12-30(26,27)13-10-16/h4-8,11,14,16,25H,9-10,12-13H2,1-3H3,(H,23,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 25.1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK1 in presence of 1 uM ATP |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50395533
(CHEMBL2164415)Show SMILES O=S(=O)(NC1CCS(=O)(=O)CC1)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1CCNCC1 Show InChI InChI=1S/C23H28N4O4S2/c28-32(29)13-8-18(9-14-32)27-33(30,31)19-3-1-16(2-4-19)20-7-12-25-23-21(20)15-22(26-23)17-5-10-24-11-6-17/h1-4,7,12,15,17-18,24,27H,5-6,8-11,13-14H2,(H,25,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 31.6 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK1 in presence of 1 uM ATP |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50350908
(CHEMBL520308)Show SMILES CN(CCO)S(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(C)cc12 Show InChI InChI=1S/C17H19N3O3S/c1-12-11-16-15(7-8-18-17(16)19-12)13-3-5-14(6-4-13)24(22,23)20(2)9-10-21/h3-8,11,21H,9-10H2,1-2H3,(H,18,19) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 39.8 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK2 in presence of 1 uM ATP |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50395532
(CHEMBL2164416)Show SMILES O=S(=O)(NC1CCS(=O)(=O)CC1)c1ccc(cc1)-c1ccnc2[nH]c(Cn3ccnn3)cc12 Show InChI InChI=1S/C21H22N6O4S2/c28-32(29)11-6-16(7-12-32)25-33(30,31)18-3-1-15(2-4-18)19-5-8-22-21-20(19)13-17(24-21)14-27-10-9-23-26-27/h1-5,8-10,13,16,25H,6-7,11-12,14H2,(H,22,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 50.1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK1 in presence of 1 uM ATP |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50395530
(CHEMBL2164418)Show SMILES Cc1cc2c(ccnc2[nH]1)-c1ccc(cn1)S(=O)(=O)NC1CCS(=O)(=O)CC1 Show InChI InChI=1S/C18H20N4O4S2/c1-12-10-16-15(4-7-19-18(16)21-12)17-3-2-14(11-20-17)28(25,26)22-13-5-8-27(23,24)9-6-13/h2-4,7,10-11,13,22H,5-6,8-9H2,1H3,(H,19,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 79.4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK1 in presence of 1 uM ATP |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50395530
(CHEMBL2164418)Show SMILES Cc1cc2c(ccnc2[nH]1)-c1ccc(cn1)S(=O)(=O)NC1CCS(=O)(=O)CC1 Show InChI InChI=1S/C18H20N4O4S2/c1-12-10-16-15(4-7-19-18(16)21-12)17-3-2-14(11-20-17)28(25,26)22-13-5-8-27(23,24)9-6-13/h2-4,7,10-11,13,22H,5-6,8-9H2,1H3,(H,19,21) | 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 | 79.4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK2 in presence of 1 uM ATP |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50395534
(CHEMBL2164414)Show SMILES CN(C)Cc1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NC1CCS(=O)(=O)CC1 Show InChI InChI=1S/C21H26N4O4S2/c1-25(2)14-17-13-20-19(7-10-22-21(20)23-17)15-3-5-18(6-4-15)31(28,29)24-16-8-11-30(26,27)12-9-16/h3-7,10,13,16,24H,8-9,11-12,14H2,1-2H3,(H,22,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK1 in presence of 1 uM ATP |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50395529
(CHEMBL2164419)Show SMILES Cc1cc2c(ccnc2[nH]1)-c1ncc(cn1)S(=O)(=O)NC1CCS(=O)(=O)CC1 Show InChI InChI=1S/C17H19N5O4S2/c1-11-8-15-14(2-5-18-17(15)21-11)16-19-9-13(10-20-16)28(25,26)22-12-3-6-27(23,24)7-4-12/h2,5,8-10,12,22H,3-4,6-7H2,1H3,(H,18,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK1 in presence of 1 uM ATP |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50395520
(CHEMBL2164422)Show SMILES OCCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1CC1 Show InChI InChI=1S/C18H19N3O3S/c22-10-9-20-25(23,24)14-5-3-12(4-6-14)15-7-8-19-18-16(15)11-17(21-18)13-1-2-13/h3-8,11,13,20,22H,1-2,9-10H2,(H,19,21) | 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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK2 in human A549 cells assessed as inhibition of TNFalpha-induced NFKB activation |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50395523
(CHEMBL2164425)Show SMILES Cc1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NCC(C)(C)O Show InChI InChI=1S/C18H21N3O3S/c1-12-10-16-15(8-9-19-17(16)21-12)13-4-6-14(7-5-13)25(23,24)20-11-18(2,3)22/h4-10,20,22H,11H2,1-3H3,(H,19,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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 |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK1 in presence of 1 uM ATP |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50395527
(CHEMBL2164420)Show SMILES OCCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C(F)(F)F Show InChI InChI=1S/C16H14F3N3O3S/c17-16(18,19)14-9-13-12(5-6-20-15(13)22-14)10-1-3-11(4-2-10)26(24,25)21-7-8-23/h1-6,9,21,23H,7-8H2,(H,20,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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 |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK1 in presence of 1 uM ATP |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50395520
(CHEMBL2164422)Show SMILES OCCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1CC1 Show InChI InChI=1S/C18H19N3O3S/c22-10-9-20-25(23,24)14-5-3-12(4-6-14)15-7-8-19-18-16(15)11-17(21-18)13-1-2-13/h3-8,11,13,20,22H,1-2,9-10H2,(H,19,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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 |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK1 in presence of 1 uM ATP |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50395522
(CHEMBL2164426)Show SMILES C[C@@H](CO)NS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1CC1 |r| Show InChI InChI=1S/C19H21N3O3S/c1-12(11-23)22-26(24,25)15-6-4-13(5-7-15)16-8-9-20-19-17(16)10-18(21-19)14-2-3-14/h4-10,12,14,22-23H,2-3,11H2,1H3,(H,20,21)/t12-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 251 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK1 in presence of 1 uM ATP |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50395524
(CHEMBL2164424)Show SMILES CC(C)(O)CNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1CC1 Show InChI InChI=1S/C20H23N3O3S/c1-20(2,24)12-22-27(25,26)15-7-5-13(6-8-15)16-9-10-21-19-17(16)11-18(23-19)14-3-4-14/h5-11,14,22,24H,3-4,12H2,1-2H3,(H,21,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 316 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK1 in presence of 1 uM ATP |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50395528
(CHEMBL483557)Show SMILES Cc1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NCCO Show InChI InChI=1S/C16H17N3O3S/c1-11-10-15-14(6-7-17-16(15)19-11)12-2-4-13(5-3-12)23(21,22)18-8-9-20/h2-7,10,18,20H,8-9H2,1H3,(H,17,19) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 316 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK1 in presence of 1 uM ATP |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50395521
(CHEMBL2164427)Show SMILES C[C@@H](CO)NS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C(F)(F)F |r| Show InChI InChI=1S/C17H16F3N3O3S/c1-10(9-24)23-27(25,26)12-4-2-11(3-5-12)13-6-7-21-16-14(13)8-15(22-16)17(18,19)20/h2-8,10,23-24H,9H2,1H3,(H,21,22)/t10-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 316 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK1 in presence of 1 uM ATP |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50395526
(CHEMBL2164421)Show SMILES CC(C)c1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NCCO Show InChI InChI=1S/C18H21N3O3S/c1-12(2)17-11-16-15(7-8-19-18(16)21-17)13-3-5-14(6-4-13)25(23,24)20-9-10-22/h3-8,11-12,20,22H,9-10H2,1-2H3,(H,19,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 398 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK1 in presence of 1 uM ATP |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50350908
(CHEMBL520308)Show SMILES CN(CCO)S(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(C)cc12 Show InChI InChI=1S/C17H19N3O3S/c1-12-11-16-15(7-8-18-17(16)19-12)13-3-5-14(6-4-13)24(22,23)20(2)9-10-21/h3-8,11,21H,9-10H2,1-2H3,(H,18,19) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 794 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK2 in human A549 cells assessed as inhibition of TNFalpha-induced NFKB activation |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50395525
(CHEMBL2164423)Show SMILES CC(C)(C)c1cc2c(ccnc2[nH]1)-c1ccc(cc1)S(=O)(=O)NCCO Show InChI InChI=1S/C19H23N3O3S/c1-19(2,3)17-12-16-15(8-9-20-18(16)22-17)13-4-6-14(7-5-13)26(24,25)21-10-11-23/h4-9,12,21,23H,10-11H2,1-3H3,(H,20,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 794 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK1 in presence of 1 uM ATP |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50395529
(CHEMBL2164419)Show SMILES Cc1cc2c(ccnc2[nH]1)-c1ncc(cn1)S(=O)(=O)NC1CCS(=O)(=O)CC1 Show InChI InChI=1S/C17H19N5O4S2/c1-11-8-15-14(2-5-18-17(15)21-11)16-19-9-13(10-20-16)28(25,26)22-12-3-6-27(23,24)7-4-12/h2,5,8-10,12,22H,3-4,6-7H2,1H3,(H,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 | 794 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK2 in presence of 1 uM ATP |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50350908
(CHEMBL520308)Show SMILES CN(CCO)S(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(C)cc12 Show InChI InChI=1S/C17H19N3O3S/c1-12-11-16-15(7-8-18-17(16)19-12)13-3-5-14(6-4-13)24(22,23)20(2)9-10-21/h3-8,11,21H,9-10H2,1-2H3,(H,18,19) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of IKK1 in presence of 1 uM ATP |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50395520
(CHEMBL2164422)Show SMILES OCCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1CC1 Show InChI InChI=1S/C18H19N3O3S/c22-10-9-20-25(23,24)14-5-3-12(4-6-14)15-7-8-19-18-16(15)11-17(21-18)13-1-2-13/h3-8,11,13,20,22H,1-2,9-10H2,(H,19,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description inhibition of CYP2C9 |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50395520
(CHEMBL2164422)Show SMILES OCCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1CC1 Show InChI InChI=1S/C18H19N3O3S/c22-10-9-20-25(23,24)14-5-3-12(4-6-14)15-7-8-19-18-16(15)11-17(21-18)13-1-2-13/h3-8,11,13,20,22H,1-2,9-10H2,(H,19,21) | PDB MMDB
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 |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description inhibition of CYP3A4 |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50395520
(CHEMBL2164422)Show SMILES OCCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1CC1 Show InChI InChI=1S/C18H19N3O3S/c22-10-9-20-25(23,24)14-5-3-12(4-6-14)15-7-8-19-18-16(15)11-17(21-18)13-1-2-13/h3-8,11,13,20,22H,1-2,9-10H2,(H,19,21) | PDB
UniProtKB/SwissProt
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 |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description inhibition of CYP2D6 |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50395520
(CHEMBL2164422)Show SMILES OCCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1CC1 Show InChI InChI=1S/C18H19N3O3S/c22-10-9-20-25(23,24)14-5-3-12(4-6-14)15-7-8-19-18-16(15)11-17(21-18)13-1-2-13/h3-8,11,13,20,22H,1-2,9-10H2,(H,19,21) | PDB MMDB
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 |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description inhibition of CYP1A2 |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50395520
(CHEMBL2164422)Show SMILES OCCNS(=O)(=O)c1ccc(cc1)-c1ccnc2[nH]c(cc12)C1CC1 Show InChI InChI=1S/C18H19N3O3S/c22-10-9-20-25(23,24)14-5-3-12(4-6-14)15-7-8-19-18-16(15)11-17(21-18)13-1-2-13/h3-8,11,13,20,22H,1-2,9-10H2,(H,19,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Bioorg Med Chem Lett 22: 5222-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.065 BindingDB Entry DOI: 10.7270/Q29W0GM7 |
More data for this Ligand-Target Pair | |