Found 670 hits with Last Name = 'faulder' and Initial = 'p' 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 |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610355
(N-(5-amino-2-((dimethylamino)methyl)phenyl)-2-meth...) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4-phosphate 5-kinase type-1 gamma
(Homo sapiens (Human)) | BDBM50599596
(CHEMBL5191668)Show SMILES CC(=O)Nc1cc(Nc2ccccc2)cc(c1)-c1ccnc(NC(=O)C2CCOCC2)c1 | Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116557 BindingDB Entry DOI: 10.7270/Q23J3J18 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4-phosphate 5-kinase type-1 gamma
(Homo sapiens (Human)) | BDBM50599618
(CHEMBL5182242)Show SMILES OCC(=O)Nc1cc(Nc2ccccc2)cc(c1)-c1ccnc(NC(=O)C2CCOCC2)c1 | Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116557 BindingDB Entry DOI: 10.7270/Q23J3J18 |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610135
((R)-N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbox...)Show SMILES CN1CC[C@H](C1)Oc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610145
(N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCCN3CCCC3)ccc2c1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610136
(N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES CN1CCC(CC1)Oc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4-phosphate 5-kinase type-1 gamma
(Homo sapiens (Human)) | BDBM50599603
(CHEMBL5194835)Show SMILES CNC(=O)c1cc(Nc2ccccc2)cc(c1)-c1ccnc(NC(=O)C2CC2)c1 | Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116557 BindingDB Entry DOI: 10.7270/Q23J3J18 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4-phosphate 5-kinase type-1 gamma
(Homo sapiens (Human)) | BDBM50599620
(CHEMBL5195505)Show SMILES CS(=O)(=O)Nc1cc(Nc2ccccc2)cc(c1)-c1ccnc(NC(=O)C2CCOCC2)c1 | Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116557 BindingDB Entry DOI: 10.7270/Q23J3J18 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4-phosphate 5-kinase type-1 gamma
(Homo sapiens (Human)) | BDBM50599612
(CHEMBL5173406)Show SMILES NC(=O)CNC(=O)c1cc(Nc2ccccc2)cc(c1)-c1ccnc(NC(=O)C2CC2)c1 | Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116557 BindingDB Entry DOI: 10.7270/Q23J3J18 |
More data for this Ligand-Target Pair | |
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 | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610253
(N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1cc(F)c2ncccc2c1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610137
(N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES CN(C)CCCOc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610133
(N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1cnc2ccccc2c1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610132
(N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2cnccc2c1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610355
(N-(5-amino-2-((dimethylamino)methyl)phenyl)-2-meth...) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM50234073
(CHEMBL4063330 | US9701664, Example 1)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2ncccc2c1 Show InChI InChI=1S/C26H21N3O4/c1-16-4-7-20(28-25(30)19-6-9-23-24(14-19)33-12-11-32-23)15-22(16)29-26(31)18-5-8-21-17(13-18)3-2-10-27-21/h2-10,13-15H,11-12H2,1H3,(H,28,30)(H,29,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
NAD(P)H dehydrogenase [quinone] 1
(Homo sapiens (Human)) | BDBM35525
(3,3''''-methylenebis(4-hydroxy-coumarin | 3,3''''-...)Show InChI InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid UniChem
Similars
| DrugBank MMDB Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant NQO1 |
J Med Chem 50: 6316-25 (2007)
Article DOI: 10.1021/jm070472p BindingDB Entry DOI: 10.7270/Q2DV1JM1 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
NAD(P)H dehydrogenase [quinone] 1
(Homo sapiens (Human)) | BDBM50055714
(3-(4,7-dihydroxy-2-oxo-2H-3-chromenylmethyl)-4,7-d...)Show SMILES Oc1ccc2c(O)c(Cc3c(O)c4ccc(O)cc4oc3=O)c(=O)oc2c1 Show InChI InChI=1S/C19H12O8/c20-8-1-3-10-14(5-8)26-18(24)12(16(10)22)7-13-17(23)11-4-2-9(21)6-15(11)27-19(13)25/h1-6,20-23H,7H2 | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description Inhibition of human recombinant NQO1 |
J Med Chem 50: 6316-25 (2007)
Article DOI: 10.1021/jm070472p BindingDB Entry DOI: 10.7270/Q2DV1JM1 |
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 | |
Phosphatidylinositol 4-phosphate 5-kinase type-1 gamma
(Homo sapiens (Human)) | BDBM50599624
(CHEMBL5208791)Show SMILES CNc1cc(Nc2ccccc2)cc(c1)-c1ccnc(NC(=O)C2CCOCC2)c1 | Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116557 BindingDB Entry DOI: 10.7270/Q23J3J18 |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM50234082
(CHEMBL4088624 | US9701664, Example 52)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCCN3CCCCC3)ccc2c1 Show InChI InChI=1S/C34H36N4O5/c1-23-6-10-27(35-33(39)26-8-12-30-31(21-26)42-19-18-41-30)22-29(23)37-34(40)25-7-11-28-24(20-25)9-13-32(36-28)43-17-5-16-38-14-3-2-4-15-38/h6-13,20-22H,2-5,14-19H2,1H3,(H,35,39)(H,37,40) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
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 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 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)) | 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 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 | |
Phosphatidylinositol 4-phosphate 5-kinase type-1 gamma
(Homo sapiens (Human)) | BDBM50599613
(CHEMBL5202114)Show SMILES O=C(Nc1cc(ccn1)-c1cc(Nc2ccccc2)cc(c1)C(=O)NCC1OCCO1)C1CC1 | Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116557 BindingDB Entry DOI: 10.7270/Q23J3J18 |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM50234078
(CHEMBL4087666 | US9701664, Example 63)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN3CCCC3)ccc2c1 Show InChI InChI=1S/C32H32N4O5/c1-21-4-8-25(33-31(37)24-6-10-28-29(19-24)40-17-16-39-28)20-27(21)35-32(38)23-5-9-26-22(18-23)7-11-30(34-26)41-15-14-36-12-2-3-13-36/h4-11,18-20H,2-3,12-17H2,1H3,(H,33,37)(H,35,38) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
| | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610162
((S)-N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbox...)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN3CC[C@H](F)C3)ccc2c1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM50234090
(CHEMBL4069552 | US9701664, Example 2)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2ccncc2c1 Show InChI InChI=1S/C26H21N3O4/c1-16-2-6-21(28-25(30)19-5-7-23-24(13-19)33-11-10-32-23)14-22(16)29-26(31)18-4-3-17-8-9-27-15-20(17)12-18/h2-9,12-15H,10-11H2,1H3,(H,28,30)(H,29,31) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610022
(N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES COCCOc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610140
((S)-N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbox...)Show SMILES CN1CCC[C@H]1COc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610140
((S)-N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbox...)Show SMILES CN1CCC[C@H]1COc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610143
(N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN3CCCCC3)ccc2c1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
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)) | 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)) | 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)) | 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 | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610135
((R)-N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbox...)Show SMILES CN1CC[C@H](C1)Oc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM50234074
(CHEMBL4070633 | US9701664, Example 39)Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C Show InChI InChI=1S/C27H23N3O4/c1-16-3-8-21(29-26(31)20-7-10-24-25(14-20)34-12-11-33-24)15-23(16)30-27(32)19-6-9-22-18(13-19)5-4-17(2)28-22/h3-10,13-15H,11-12H2,1-2H3,(H,29,31)(H,30,32) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4-phosphate 5-kinase type-1 gamma
(Homo sapiens (Human)) | BDBM50599594
(CHEMBL5171272)Show SMILES CNC(=O)c1cc(Nc2ccccc2)cc(c1)-c1ccnc(NC(=O)C2CCOCC2)c1 | Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116557 BindingDB Entry DOI: 10.7270/Q23J3J18 |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610256
(N-(2-bromo-5-(2,3-dihydrobenzo[b][1,4]dioxine-6-ca...)Show SMILES Brc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2ncccc2c1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610377
(N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES Fc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCCN3CCCC3)ccc2c1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610181
(N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES CNCCCOc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
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 | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610136
(N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES CN1CCC(CC1)Oc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610137
(N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES CN(C)CCCOc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610143
(N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamid...)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN3CCCCC3)ccc2c1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |
Heat shock factor protein 1
(Homo sapiens (Human)) | BDBM610023
(N-(4-methyl-3-(2-oxo-2H-chromene-6-carboxamido)phe...)Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2oc(=O)ccc2c1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2WW7NSG |
More data for this Ligand-Target Pair | |