Found 42 hits for monomerid = 15211 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
cAMP-dependent protein kinase (PKA)
(Homo sapiens (Human)) | BDBM15211
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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| DrugBank MMDB PDB PubMed
| 48 | -10.1 | n/a | n/a | n/a | n/a | n/a | n/a | 30 |
Nagoya University School of Medicine
| Assay Description Protein kinase C, cAMP dependent protein kinase, cGMP dependent protein kinase and myosin light chain kinase activity were measure under conditions d... |
J Biol Chem 265: 5267-72 (1990)
BindingDB Entry DOI: 10.7270/Q2QR4VRF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
PKA
(RAT) | BDBM15211
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB Article PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 316: 869-74 (2006)
Article DOI: 10.1124/jpet.105.097303 BindingDB Entry DOI: 10.7270/Q2PN9464 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Rho-associated protein kinase 2 (ROCK II)
(Rattus norvegicus (Rat)) | BDBM15211
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | PDB
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| Article PubMed
| 270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 316: 869-74 (2006)
Article DOI: 10.1124/jpet.105.097303 BindingDB Entry DOI: 10.7270/Q2PN9464 |
More data for this Ligand-Target Pair | |
cGMP-dependent protein kinase
(Homo sapiens (Human)) | BDBM15211
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | PDB MMDB
Reactome pathway KEGG
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| 480 | -8.76 | n/a | n/a | n/a | n/a | n/a | n/a | 30 |
Nagoya University School of Medicine
| Assay Description Protein kinase C, cAMP dependent protein kinase, cGMP dependent protein kinase and myosin light chain kinase activity were measure under conditions d... |
J Biol Chem 265: 5267-72 (1990)
BindingDB Entry DOI: 10.7270/Q2QR4VRF |
More data for this Ligand-Target Pair | |
cGMP-dependent protein kinase
(Homo sapiens (Human)) | BDBM15211
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | PDB MMDB
Reactome pathway KEGG
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| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 316: 869-74 (2006)
Article DOI: 10.1124/jpet.105.097303 BindingDB Entry DOI: 10.7270/Q2PN9464 |
More data for this Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Homo sapiens (Human)) | BDBM15211
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | PDB MMDB
KEGG
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| 2.83E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description Binding affinity at MLCK |
Proc Natl Acad Sci USA 104: 20523-8 (2007)
Checked by Author Article DOI: 10.1073/pnas.0708800104 BindingDB Entry DOI: 10.7270/Q2DB82RH |
More data for this Ligand-Target Pair | |
Myosin light chain kinase
(Homo sapiens (Human)) | BDBM15211
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | KEGG
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| 2.83E+4 | -6.30 | n/a | n/a | n/a | n/a | n/a | n/a | 30 |
Nagoya University School of Medicine
| Assay Description Protein kinase C, cAMP dependent protein kinase, cGMP dependent protein kinase and myosin light chain kinase activity were measure under conditions d... |
J Biol Chem 265: 5267-72 (1990)
BindingDB Entry DOI: 10.7270/Q2QR4VRF |
More data for this Ligand-Target Pair | |
Myosin light chain kinase, smooth muscle
(Gallus gallus (chicken)) | BDBM15211
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | PDB MMDB
Reactome pathway KEGG
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| 2.83E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute for Biochemistry
Curated by ChEMBL
| Assay Description Inhibitory constant against MLCK |
J Biol Chem 271: 26157-64 (1996)
BindingDB Entry DOI: 10.7270/Q2BR8T3M |
More data for this Ligand-Target Pair | |
Calcium/calmodulin-dependent protein kinase kinase 2
(Homo sapiens (Human)) | BDBM15211
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | PDB MMDB
KEGG
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| 2.97E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description Inhibition of CaM-KKbeta |
Proc Natl Acad Sci USA 104: 20523-8 (2007)
Checked by Author Article DOI: 10.1073/pnas.0708800104 BindingDB Entry DOI: 10.7270/Q2DB82RH |
More data for this Ligand-Target Pair | |
CAMK2B
(Homo sapiens (Human)) | BDBM15211
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | PDB MMDB
Reactome pathway KEGG
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| 2.97E+4 | -6.28 | n/a | n/a | n/a | n/a | n/a | n/a | 30 |
Nagoya University School of Medicine
| Assay Description Protein kinase C, cAMP dependent protein kinase, cGMP dependent protein kinase and myosin light chain kinase activity were measure under conditions d... |
J Biol Chem 265: 5267-72 (1990)
BindingDB Entry DOI: 10.7270/Q2QR4VRF |
More data for this Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM15211
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 3.17E+4 | -6.24 | n/a | n/a | n/a | n/a | n/a | n/a | 30 |
Nagoya University School of Medicine
| Assay Description Protein kinase C, cAMP dependent protein kinase, cGMP dependent protein kinase and myosin light chain kinase activity were measure under conditions d... |
J Biol Chem 265: 5267-72 (1990)
BindingDB Entry DOI: 10.7270/Q2QR4VRF |
More data for this Ligand-Target Pair | |
Casein kinase I isoform alpha
(Homo sapiens (Human)) | BDBM15211
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | PDB
NCI pathway Reactome pathway KEGG
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| 3.83E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description Inhibition of casein kinase 1 |
Proc Natl Acad Sci USA 104: 20523-8 (2007)
Checked by Author Article DOI: 10.1073/pnas.0708800104 BindingDB Entry DOI: 10.7270/Q2DB82RH |
More data for this Ligand-Target Pair | |
Casein kinase I isoform alpha
(Homo sapiens (Human)) | BDBM15211
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | PDB
NCI pathway Reactome pathway KEGG
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| 3.83E+4 | -6.12 | n/a | n/a | n/a | n/a | n/a | n/a | 30 |
Nagoya University School of Medicine
| Assay Description Protein kinase C, cAMP dependent protein kinase, cGMP dependent protein kinase and myosin light chain kinase activity were measure under conditions d... |
J Biol Chem 265: 5267-72 (1990)
BindingDB Entry DOI: 10.7270/Q2QR4VRF |
More data for this Ligand-Target Pair | |
Casein kinase II subunit alpha
(Homo sapiens (Human)) | BDBM15211
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | PDB
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| 1.37E+5 | -5.36 | n/a | n/a | n/a | n/a | n/a | n/a | 30 |
Nagoya University School of Medicine
| Assay Description Protein kinase C, cAMP dependent protein kinase, cGMP dependent protein kinase and myosin light chain kinase activity were measure under conditions d... |
J Biol Chem 265: 5267-72 (1990)
BindingDB Entry DOI: 10.7270/Q2QR4VRF |
More data for this Ligand-Target Pair | |
Casein kinase II alpha (prime)
(Homo sapiens (Human)) | BDBM15211
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | PDB
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| 1.37E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute for Biochemistry
Curated by ChEMBL
| Assay Description Inhibitory constant against bovine CK2 |
J Biol Chem 271: 26157-64 (1996)
BindingDB Entry DOI: 10.7270/Q2BR8T3M |
More data for this Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM15211
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | PDB
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| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description Inhibition of human PKBalpha expressed in SF9 cells |
Biochem J 351: 95-105 (2001)
BindingDB Entry DOI: 10.7270/Q24T6JKN |
More data for this Ligand-Target Pair | |
Ribosomal protein S6 kinase alpha 5
(Homo sapiens (Human)) | BDBM15211
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | PDB MMDB
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| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description Inhibition of His-tagged human MSK1 expressed in Sf9 cells |
Biochem J 351: 95-105 (2001)
BindingDB Entry DOI: 10.7270/Q24T6JKN |
More data for this Ligand-Target Pair | |
Ribosomal protein S6 kinase (P70S6K)
(Homo sapiens (Human)) | BDBM15211
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description Inhibition of His-tagged human S6K1 expressed in Escherichia coli |
Biochem J 351: 95-105 (2001)
BindingDB Entry DOI: 10.7270/Q24T6JKN |
More data for this Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM15211
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | PDB
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| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged PKB/Akt1 incubated for 5 mins before eNOS substrate and ATP addition measured after 30 mins by kinase assay |
Eur J Med Chem 46: 5949-58 (2011)
Article DOI: 10.1016/j.ejmech.2011.10.006 BindingDB Entry DOI: 10.7270/Q2TD9XS3 |
More data for this Ligand-Target Pair | |
Protein kinase Pfmrk
(Plasmodium falciparum) | BDBM15211
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | UniProtKB/TrEMBL
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| n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Research
Curated by ChEMBL
| Assay Description Inhibition of Plasmodium falciparum Pfmrk |
Bioorg Med Chem Lett 17: 4961-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.06.032 BindingDB Entry DOI: 10.7270/Q2GX4CC8 |
More data for this Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM15211
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | PDB
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| n/a | n/a | 1.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of Akt1 (unknown origin) using ATP/eNOS as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by fluo... |
Eur J Med Chem 73: 167-76 (2014)
Article DOI: 10.1016/j.ejmech.2013.11.036 BindingDB Entry DOI: 10.7270/Q2BR8TNS |
More data for this Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM15211
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | PDB
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| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of AKT1 (unknown origin) using ATP/eNOS as substrate incubated for 5 mins prior to substrate addition measured after 30 mins by fluorescen... |
Eur J Med Chem 75: 11-20 (2014)
Article DOI: 10.1016/j.ejmech.2014.01.019 BindingDB Entry DOI: 10.7270/Q2KP83NK |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM15211
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | PDB MMDB
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| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description Inhibition of ROCK2 |
Proc Natl Acad Sci USA 104: 20523-8 (2007)
Checked by Author Article DOI: 10.1073/pnas.0708800104 BindingDB Entry DOI: 10.7270/Q2DB82RH |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase AKT2
(Homo sapiens (Human)) | BDBM15211
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | PDB
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| n/a | n/a | 590 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of PKBbeta recombinant by radiometric filter binding assay |
J Med Chem 51: 2147-57 (2008)
Article DOI: 10.1021/jm701437d BindingDB Entry DOI: 10.7270/Q2X63NV8 |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM15211
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of GSK3-beta in human PC3M cells by ELISA |
J Med Chem 51: 2147-57 (2008)
Article DOI: 10.1021/jm701437d BindingDB Entry DOI: 10.7270/Q2X63NV8 |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM15211
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | PDB MMDB
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| n/a | n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a |
University of Tartu
Curated by ChEMBL
| Assay Description Displacement of fluorescent-ARC-1063 from His6-tagged recombinant human ROCK2 by luminescence intensity assay |
Bioorg Med Chem Lett 22: 3425-30 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.101 BindingDB Entry DOI: 10.7270/Q2GT5P5N |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase AKT2
(Homo sapiens (Human)) | BDBM15211
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | PDB
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| n/a | n/a | 590 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of PKBbeta by radiometric filter binding assay |
J Med Chem 53: 2239-49 (2010)
Article DOI: 10.1021/jm901788j BindingDB Entry DOI: 10.7270/Q23B608V |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase AKT
(Homo sapiens (Human)) | BDBM15211
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | PDB MMDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Torrey Pines Institute for Molecular Studies
Curated by ChEMBL
| Assay Description Inhibition of AKT3 by FRET based assay |
Bioorg Med Chem Lett 19: 4634-8 (2009)
Checked by Author Article DOI: 10.1016/j.bmcl.2009.06.078 BindingDB Entry DOI: 10.7270/Q2PV6KD4 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase AKT2
(Homo sapiens (Human)) | BDBM15211
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | PDB
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| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Torrey Pines Institute for Molecular Studies
Curated by ChEMBL
| Assay Description Inhibition of AKT2 by FRET based assay |
Bioorg Med Chem Lett 19: 4634-8 (2009)
Checked by Author Article DOI: 10.1016/j.bmcl.2009.06.078 BindingDB Entry DOI: 10.7270/Q2PV6KD4 |
More data for this Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM15211
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | PDB
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| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Torrey Pines Institute for Molecular Studies
Curated by ChEMBL
| Assay Description Inhibition of AKT1 by FRET based assay |
Bioorg Med Chem Lett 19: 4634-8 (2009)
Checked by Author Article DOI: 10.1016/j.bmcl.2009.06.078 BindingDB Entry DOI: 10.7270/Q2PV6KD4 |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM15211
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | PDB MMDB
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| n/a | n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a |
University of Tartu
Curated by ChEMBL
| Assay Description Displacement of fluorescent-ARC-1063 from His6-tagged recombinant human ROCK2 by luminescence intensity assay |
Bioorg Med Chem Lett 22: 3425-30 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.101 BindingDB Entry DOI: 10.7270/Q2GT5P5N |
More data for this Ligand-Target Pair | |
Rho-associated protein kinase 2 (ROCK II)
(Rattus norvegicus (Rat)) | BDBM15211
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | PDB
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| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Dundee
Curated by ChEMBL
| Assay Description Inhibition of rat ROCK2 expressed in Sf9 cells |
Biochem J 351: 95-105 (2001)
BindingDB Entry DOI: 10.7270/Q24T6JKN |
More data for this Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM15211
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | PDB
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| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Zhejiang University
| Assay Description In vitro kinase assays were carried out using HTScanŽ PKB/Akt1 Kinase Assay kit (Cell Signaling Technology). Active recombinant Akt1 kinase (GST fusi... |
Chem Biol Drug Des 85: 770-9 (2015)
Article DOI: 10.1111/cbdd.12489 BindingDB Entry DOI: 10.7270/Q2TQ6085 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase AKT
(Homo sapiens (Human)) | BDBM15211
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 662 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Chemistry in Estonia
| Assay Description The IC50 values of the inhibitors corresponding to the concentration of the inhibitor decreasing the enzyme activity 50% were measured using fluoresc... |
J Med Chem 52: 308-21 (2009)
Article DOI: 10.1021/jm800797n BindingDB Entry DOI: 10.7270/Q2RX99FQ |
More data for this Ligand-Target Pair | |
cAMP-Dependent Protein Kinase (PKA)
(Mus musculus (mouse)) | BDBM15211
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | PDB MMDB
Reactome pathway KEGG
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Chemistry in Estonia
| Assay Description The IC50 values of the inhibitors corresponding to the concentration of the inhibitor decreasing the enzyme activity 50% were measured using fluoresc... |
J Med Chem 52: 308-21 (2009)
Article DOI: 10.1021/jm800797n BindingDB Entry DOI: 10.7270/Q2RX99FQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM15211
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | PDB MMDB
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| n/a | n/a | n/a | 31 | n/a | n/a | n/a | 7.5 | 30 |
Institute of Chemistry in Estonia
| Assay Description The assay is based on the kinase-bound labeled fluorescent probe can be displaced by competitive inhibitors, which can be registered by measurement o... |
J Med Chem 52: 308-21 (2009)
Article DOI: 10.1021/jm800797n BindingDB Entry DOI: 10.7270/Q2RX99FQ |
More data for this Ligand-Target Pair | |
cAMP-Dependent Protein Kinase (PKA)
(Mus musculus (mouse)) | BDBM15211
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | PDB MMDB
Reactome pathway KEGG
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| n/a | n/a | n/a | 23 | n/a | n/a | n/a | 7.5 | 30 |
Institute of Chemistry in Estonia
| Assay Description The assay is based on the kinase-bound labeled fluorescent probe can be displaced by competitive inhibitors, which can be registered by measurement o... |
J Med Chem 52: 308-21 (2009)
Article DOI: 10.1021/jm800797n BindingDB Entry DOI: 10.7270/Q2RX99FQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cAMP-Dependent Protein Kinase (PKA)
(Bos taurus (bovine)) | BDBM15211
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | PDB
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| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
UK Centre for Cancer Therapeutics
| Assay Description The recombinant alpha catalytic subunit of bovine PKA was assayed with a peptide substrate and test compound in the presence of 40 uM ATP/ [gamma-33P... |
Bioorg Med Chem 14: 1255-73 (2006)
Article DOI: 10.1016/j.bmc.2005.09.055 BindingDB Entry DOI: 10.7270/Q2FN14F2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase AKT2
(Homo sapiens (Human)) | BDBM15211
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | PDB
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| n/a | n/a | 590 | n/a | n/a | n/a | n/a | n/a | n/a |
UK Centre for Cancer Therapeutics
| Assay Description The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I... |
Bioorg Med Chem 14: 1255-73 (2006)
Article DOI: 10.1016/j.bmc.2005.09.055 BindingDB Entry DOI: 10.7270/Q2FN14F2 |
More data for this Ligand-Target Pair | |
cAMP-dependent protein kinase (PKA)
(Homo sapiens (Human)) | BDBM15211
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | KEGG
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Similars
| Article PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description Inhibition of PKA-mediated phosphorylation of kemptide at 100 uM |
Bioorg Med Chem Lett 16: 5360-3 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.078 BindingDB Entry DOI: 10.7270/Q2NG4TD5 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase AKT2
(Homo sapiens (Human)) | BDBM15211
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 590 | n/a | n/a | n/a | n/a | 7.2 | 22 |
Astex
| Assay Description The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I... |
J Med Chem 50: 2289-92 (2007)
Article DOI: 10.1021/jm0700924 BindingDB Entry DOI: 10.7270/Q2M32T1C |
More data for this Ligand-Target Pair | |
cAMP-Dependent Protein Kinase (PKA)
(Bos taurus (bovine)) | BDBM15211
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1 Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+ | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | 7.2 | 22 |
Astex
| Assay Description The recombinant alpha catalytic subunit of bovine PKA was assayed with a peptide substrate and test compound in the presence of 40 uM ATP/ [gamma-33P... |
J Med Chem 50: 2289-92 (2007)
Article DOI: 10.1021/jm0700924 BindingDB Entry DOI: 10.7270/Q2M32T1C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |