Found 9 hits Enz. Inhib. hit(s) with Target = 'Ribosomal protein S6 kinase alpha-3' and Ligand = 'BDBM25017' 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 |
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human)) | BDBM25017
(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)Show SMILES CC(C)CCN1C(C)C(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12 Show InChI InChI=1S/C19H23F2N5O2/c1-10(2)5-6-26-11(3)18(28)25(4)15-9-22-19(24-17(15)26)23-12-7-13(20)16(27)14(21)8-12/h7-11,27H,5-6H2,1-4H3,(H,22,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Colorado Anschutz Medical Campus
Curated by ChEMBL
| Assay Description Inhibition of RSK2 (unknown origin) |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115303 BindingDB Entry DOI: 10.7270/Q2XW4PCP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human)) | BDBM25017
(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)Show SMILES CC(C)CCN1C(C)C(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12 Show InChI InChI=1S/C19H23F2N5O2/c1-10(2)5-6-26-11(3)18(28)25(4)15-9-22-19(24-17(15)26)23-12-7-13(20)16(27)14(21)8-12/h7-11,27H,5-6H2,1-4H3,(H,22,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB
| n/a | n/a | 22.6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human)) | BDBM25017
(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)Show SMILES CC(C)CCN1C(C)C(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12 Show InChI InChI=1S/C19H23F2N5O2/c1-10(2)5-6-26-11(3)18(28)25(4)15-9-22-19(24-17(15)26)23-12-7-13(20)16(27)14(21)8-12/h7-11,27H,5-6H2,1-4H3,(H,22,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of RSK2 (unknown origin) using Ulight-rpS6 as substrate incubated for 1 hr in presence of ATP by TR FRET assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116220 BindingDB Entry DOI: 10.7270/Q2H70KKB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human)) | BDBM25017
(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)Show SMILES CC(C)CCN1C(C)C(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12 Show InChI InChI=1S/C19H23F2N5O2/c1-10(2)5-6-26-11(3)18(28)25(4)15-9-22-19(24-17(15)26)23-12-7-13(20)16(27)14(21)8-12/h7-11,27H,5-6H2,1-4H3,(H,22,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human)) | BDBM25017
(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)Show SMILES CC(C)CCN1C(C)C(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12 Show InChI InChI=1S/C19H23F2N5O2/c1-10(2)5-6-26-11(3)18(28)25(4)15-9-22-19(24-17(15)26)23-12-7-13(20)16(27)14(21)8-12/h7-11,27H,5-6H2,1-4H3,(H,22,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of His6-tagged human RSK2 using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK-peptide as substrate in presence of [gamma-32P]ATP |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00969 BindingDB Entry DOI: 10.7270/Q2WD44DC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human)) | BDBM25017
(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)Show SMILES CC(C)CCN1C(C)C(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12 Show InChI InChI=1S/C19H23F2N5O2/c1-10(2)5-6-26-11(3)18(28)25(4)15-9-22-19(24-17(15)26)23-12-7-13(20)16(27)14(21)8-12/h7-11,27H,5-6H2,1-4H3,(H,22,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | 7.5 | 22 |
University of Dundee
| Assay Description IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] labe... |
Biochem J 401: 29-38 (2007)
Article DOI: 10.1042/BJ20061088 BindingDB Entry DOI: 10.7270/Q25Q4TD7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human)) | BDBM25017
(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)Show SMILES CC(C)CCN1C(C)C(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12 Show InChI InChI=1S/C19H23F2N5O2/c1-10(2)5-6-26-11(3)18(28)25(4)15-9-22-19(24-17(15)26)23-12-7-13(20)16(27)14(21)8-12/h7-11,27H,5-6H2,1-4H3,(H,22,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Colorado Anschutz Medical Campus
Curated by ChEMBL
| Assay Description Inhibition of RSK2 (unknown origin) using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK a substrate by [32P] gammaATP assay |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115303 BindingDB Entry DOI: 10.7270/Q2XW4PCP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human)) | BDBM25017
(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)Show SMILES CC(C)CCN1C(C)C(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12 Show InChI InChI=1S/C19H23F2N5O2/c1-10(2)5-6-26-11(3)18(28)25(4)15-9-22-19(24-17(15)26)23-12-7-13(20)16(27)14(21)8-12/h7-11,27H,5-6H2,1-4H3,(H,22,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 2.33E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Colorado Anschutz Medical Campus
Curated by ChEMBL
| Assay Description Inhibition of full length human GST-tagged RSK2 using Ulight-rpS6 as substrate incubated for 1 hr in presence of ATP by TR FRET assay |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115303 BindingDB Entry DOI: 10.7270/Q2XW4PCP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human)) | BDBM25017
(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)Show SMILES CC(C)CCN1C(C)C(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12 Show InChI InChI=1S/C19H23F2N5O2/c1-10(2)5-6-26-11(3)18(28)25(4)15-9-22-19(24-17(15)26)23-12-7-13(20)16(27)14(21)8-12/h7-11,27H,5-6H2,1-4H3,(H,22,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of RSK2 in human MOLM-13 assessed as reduction in cell viability measured after 72 hrs by MTS assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2021.116220 BindingDB Entry DOI: 10.7270/Q2H70KKB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |