Found 4 hits Enzyme Inhibition Constant Data 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 |
|---|
3-phosphoinositide-dependent protein kinase 1
(286/286 = 100%)†
(Homo sapiens (Human)) | BDBM17053
(BX-320 | N-(3-{[5-bromo-2-({3-[(pyrrolidin-1-ylcar...)Show SMILES CC(C)(C(N)=O)C(=O)NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1Br Show InChI InChI=1S/C23H31BrN8O3/c1-23(2,19(25)33)20(34)27-10-6-9-26-18-17(24)14-28-21(31-18)29-15-7-5-8-16(13-15)30-22(35)32-11-3-4-12-32/h5,7-8,13-14H,3-4,6,9-12H2,1-2H3,(H2,25,33)(H,27,34)(H,30,35)(H2,26,28,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
| MMDB
PDB
Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of N terminal His-tagged human recombinant PDK1 using H2NARRRGVTTKTFCGT peptide as substrate assessed as substrate phosphorylation after 4... |
J Med Chem 56: 2726-37 (2013)
Article DOI: 10.1021/jm4000227
BindingDB Entry DOI: 10.7270/Q24Q7WCF |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
3-phosphoinositide-dependent protein kinase 1
(286/286 = 100%)†
(Homo sapiens (Human)) | BDBM17053
(BX-320 | N-(3-{[5-bromo-2-({3-[(pyrrolidin-1-ylcar...)Show SMILES CC(C)(C(N)=O)C(=O)NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1Br Show InChI InChI=1S/C23H31BrN8O3/c1-23(2,19(25)33)20(34)27-10-6-9-26-18-17(24)14-28-21(31-18)29-15-7-5-8-16(13-15)30-22(35)32-11-3-4-12-32/h5,7-8,13-14H,3-4,6,9-12H2,1-2H3,(H2,25,33)(H,27,34)(H,30,35)(H2,26,28,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
| MMDB
PDB
Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
S BIO Pte Ltd
Curated by ChEMBL
| Assay Description
Inhibition of PDK1 using [gamma33P]-ATP as substrate after 30 mins by scintillation counting |
Bioorg Med Chem Lett 22: 305-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.11.006
BindingDB Entry DOI: 10.7270/Q2N016ZX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
3-phosphoinositide-dependent protein kinase 1
(286/286 = 100%)†
(Homo sapiens (Human)) | BDBM17053
(BX-320 | N-(3-{[5-bromo-2-({3-[(pyrrolidin-1-ylcar...)Show SMILES CC(C)(C(N)=O)C(=O)NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1Br Show InChI InChI=1S/C23H31BrN8O3/c1-23(2,19(25)33)20(34)27-10-6-9-26-18-17(24)14-28-21(31-18)29-15-7-5-8-16(13-15)30-22(35)32-11-3-4-12-32/h5,7-8,13-14H,3-4,6,9-12H2,1-2H3,(H2,25,33)(H,27,34)(H,30,35)(H2,26,28,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
| MMDB
PDB
Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | 7.2 | 22 |
Berlex Biosciences
| Assay Description
The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub... |
J Biol Chem 280: 19867-74 (2005)
Article DOI: 10.1074/jbc.M501367200
BindingDB Entry DOI: 10.7270/Q21Z42PW |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
3-phosphoinositide-dependent protein kinase 1
(286/286 = 100%)†
(Homo sapiens (Human)) | BDBM17053
(BX-320 | N-(3-{[5-bromo-2-({3-[(pyrrolidin-1-ylcar...)Show SMILES CC(C)(C(N)=O)C(=O)NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1Br Show InChI InChI=1S/C23H31BrN8O3/c1-23(2,19(25)33)20(34)27-10-6-9-26-18-17(24)14-28-21(31-18)29-15-7-5-8-16(13-15)30-22(35)32-11-3-4-12-32/h5,7-8,13-14H,3-4,6,9-12H2,1-2H3,(H2,25,33)(H,27,34)(H,30,35)(H2,26,28,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
| MMDB
PDB
Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck KGaA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDK1 assessed as PtdIns-3,4-P2-mediated AKT2 activation using biotin-ARRRDGGGAQPFRPRAATF as substrate after 2 hrs by ... |
Bioorg Med Chem Lett 26: 3073-80 (2016)
Article DOI: 10.1016/j.bmcl.2016.05.005
BindingDB Entry DOI: 10.7270/Q2M61N5R |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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