BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 128 hits with Last Name = 'merkul' and Initial = 'e'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50178285
PNG
(CHEMBL3813865)
Show SMILES CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cn[nH]c1
Show InChI InChI=1S/C16H15N7/c1-2-11-4-14(23-16(17)22-11)13-8-19-15-12(13)3-9(5-18-15)10-6-20-21-7-10/h3-8H,2H2,1H3,(H,18,19)(H,20,21)(H2,17,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method


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
3D Structure (crystal)
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM17053
PNG
(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
Purchase

MMDB
PC cid
PC sid
PDB
UniChem

Patents

MMDB
PDB
Article
PubMed
n/an/a 39n/an/an/an/an/an/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
3D Structure (crystal)
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50178291
PNG
(CHEMBL3814140)
Show SMILES CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C21H24N8/c1-2-15-8-19(28-21(22)27-15)18-11-25-20-17(18)7-13(9-24-20)14-10-26-29(12-14)16-3-5-23-6-4-16/h7-12,16,23H,2-6H2,1H3,(H,24,25)(H2,22,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 58n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method


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
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50178290
PNG
(CHEMBL3814770)
Show SMILES CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(CCN(C)C)c1
Show InChI InChI=1S/C20H24N8/c1-4-15-8-18(26-20(21)25-15)17-11-23-19-16(17)7-13(9-22-19)14-10-24-28(12-14)6-5-27(2)3/h7-12H,4-6H2,1-3H3,(H,22,23)(H2,21,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 82n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method


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
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50178293
PNG
(CHEMBL3815046)
Show SMILES CCCCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C23H28N8/c1-2-3-4-17-10-21(30-23(24)29-17)20-13-27-22-19(20)9-15(11-26-22)16-12-28-31(14-16)18-5-7-25-8-6-18/h9-14,18,25H,2-8H2,1H3,(H,26,27)(H2,24,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 84n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method


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
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50178287
PNG
(CHEMBL3814785)
Show SMILES CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C17H17N7/c1-3-12-5-15(23-17(18)22-12)14-8-20-16-13(14)4-10(6-19-16)11-7-21-24(2)9-11/h4-9H,3H2,1-2H3,(H,19,20)(H2,18,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 85n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method


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
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50178292
PNG
(CHEMBL3813933)
Show SMILES CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(CC(C)C)c1
Show InChI InChI=1S/C20H23N7/c1-4-15-6-18(26-20(21)25-15)17-9-23-19-16(17)5-13(7-22-19)14-8-24-27(11-14)10-12(2)3/h5-9,11-12H,4,10H2,1-3H3,(H,22,23)(H2,21,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method


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
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50178284
PNG
(CHEMBL3814317)
Show SMILES CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1ccco1
Show InChI InChI=1S/C17H15N5O/c1-2-11-7-14(22-17(18)21-11)13-9-20-16-12(13)6-10(8-19-16)15-4-3-5-23-15/h3-9H,2H2,1H3,(H,19,20)(H2,18,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method


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
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50178283
PNG
(CHEMBL3814154)
Show SMILES CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1ccc(N)nc1
Show InChI InChI=1S/C18H17N7/c1-2-12-6-15(25-18(20)24-12)14-9-23-17-13(14)5-11(8-22-17)10-3-4-16(19)21-7-10/h3-9H,2H2,1H3,(H2,19,21)(H,22,23)(H2,20,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method


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
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50178286
PNG
(CHEMBL3814539)
Show SMILES CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1ccn[nH]1
Show InChI InChI=1S/C16H15N7/c1-2-10-6-14(22-16(17)21-10)12-8-19-15-11(12)5-9(7-18-15)13-3-4-20-23-13/h3-8H,2H2,1H3,(H,18,19)(H,20,23)(H2,17,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 260n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method


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
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50178277
PNG
(CHEMBL3814554)
Show SMILES NCCCc1cc(nc(N)n1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C14H16N6/c15-5-1-3-9-7-12(20-14(16)19-9)11-8-18-13-10(11)4-2-6-17-13/h2,4,6-8H,1,3,5,15H2,(H,17,18)(H2,16,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 390n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method


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
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50178282
PNG
(CHEMBL3813886)
Show SMILES CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1ccncc1
Show InChI InChI=1S/C18H16N6/c1-2-13-8-16(24-18(19)23-13)15-10-22-17-14(15)7-12(9-21-17)11-3-5-20-6-4-11/h3-10H,2H2,1H3,(H,21,22)(H2,19,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 450n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method


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
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50178279
PNG
(CHEMBL3814704)
Show SMILES CCc1cc(nc(N)n1)-c1c[nH]c2ncc(Br)cc12
Show InChI InChI=1S/C13H12BrN5/c1-2-8-4-11(19-13(15)18-8)10-6-17-12-9(10)3-7(14)5-16-12/h3-6H,2H2,1H3,(H,16,17)(H2,15,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 480n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method


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
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50178281
PNG
(CHEMBL3814357)
Show SMILES CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cccnc1
Show InChI InChI=1S/C18H16N6/c1-2-13-7-16(24-18(19)23-13)15-10-22-17-14(15)6-12(9-21-17)11-4-3-5-20-8-11/h3-10H,2H2,1H3,(H,21,22)(H2,19,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method


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
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50178278
PNG
(CHEMBL3813908)
Show SMILES NCCCCc1cc(nc(N)n1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C15H18N6/c16-6-2-1-4-10-8-13(21-15(17)20-10)12-9-19-14-11(12)5-3-7-18-14/h3,5,7-9H,1-2,4,6,16H2,(H,18,19)(H2,17,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method


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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM331155
PNG
(1-benzenesulfonyl-3-[5-(1-methyl-1H-pyrazol-4-yl)-...)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cn(c4cnccc34)S(=O)(=O)c3ccccc3)c2c1
Show InChI InChI=1S/C24H18N6O2S/c1-29-14-17(11-28-29)16-9-20-21(12-27-24(20)26-10-16)22-15-30(23-13-25-8-7-19(22)23)33(31,32)18-5-3-2-4-6-18/h2-15H,1H3,(H,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay.0.6 nM TANK binding kinase (TBK1), 800 nM biotinylated MELK-derived peptide (biotin-Ah-Ah-...


US Patent US9725446 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6G95
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM331153
PNG
(5-(1H-pyrrolo[2,3-b]pyridin-3-yl)isoquinoline | US...)
Show SMILES c1[nH]c2ncccc2c1-c1cccc2cnccc12
Show InChI InChI=1S/C16H11N3/c1-3-11-9-17-8-6-12(11)13(4-1)15-10-19-16-14(15)5-2-7-18-16/h1-10H,(H,18,19)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
In-Vitro (Enzyme) Assay for Determination of the Efficacy of the Inhibitors of the Inhibition of TGF-Beta-Mediated EffectsAs an example, the ability ...


US Patent US9725446 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6G95
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM331155
PNG
(1-benzenesulfonyl-3-[5-(1-methyl-1H-pyrazol-4-yl)-...)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cn(c4cnccc34)S(=O)(=O)c3ccccc3)c2c1
Show InChI InChI=1S/C24H18N6O2S/c1-29-14-17(11-28-29)16-9-20-21(12-27-24(20)26-10-16)22-15-30(23-13-25-8-7-19(22)23)33(31,32)18-5-3-2-4-6-18/h2-15H,1H3,(H,26,27)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay.1 nM IKKε, 800 nM biotinylated IκBα(19-42) peptide (biotin-C6-C6-GLKKERLLDD...


US Patent US9725446 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6G95
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM331156
PNG
(5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)isoquino...)
Show SMILES Cc1[nH]c2ncccc2c1-c1cccc2cnccc12
Show InChI InChI=1S/C17H13N3/c1-11-16(15-6-3-8-19-17(15)20-11)14-5-2-4-12-10-18-9-7-13(12)14/h2-10H,1H3,(H,19,20)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
In-Vitro (Enzyme) Assay for Determination of the Efficacy of the Inhibitors of the Inhibition of TGF-Beta-Mediated EffectsAs an example, the ability ...


US Patent US9725446 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6G95
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM331157
PNG
(1-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2,6-naphthyridin...)
Show SMILES c1[nH]c2ncccc2c1-c1nccc2cnccc12
Show InChI InChI=1S/C15H10N4/c1-2-12-13(9-19-15(12)18-5-1)14-11-4-6-16-8-10(11)3-7-17-14/h1-9H,(H,18,19)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
In-Vitro (Enzyme) Assay for Determination of the Efficacy of the Inhibitors of the Inhibition of TGF-Beta-Mediated EffectsAs an example, the ability ...


US Patent US9725446 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6G95
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM331158
PNG
(5-(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)isoquino...)
Show SMILES Cn1cc(-c2cccc3cnccc23)c2cccnc12
Show InChI InChI=1S/C17H13N3/c1-20-11-16(15-6-3-8-19-17(15)20)14-5-2-4-12-10-18-9-7-13(12)14/h2-11H,1H3
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
In-Vitro (Enzyme) Assay for Determination of the Efficacy of the Inhibitors of the Inhibition of TGF-Beta-Mediated EffectsAs an example, the ability ...


US Patent US9725446 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6G95
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM331159
PNG
(3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrrolo[2,3-c...)
Show SMILES c1[nH]c2cnccc2c1-c1c[nH]c2ncccc12
Show InChI InChI=1S/C14H10N4/c1-2-10-12(7-18-14(10)16-4-1)11-6-17-13-8-15-5-3-9(11)13/h1-8,17H,(H,16,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay.0.6 nM TANK binding kinase (TBK1), 800 nM biotinylated MELK-derived peptide (biotin-Ah-Ah-...


US Patent US9725446 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6G95
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM331161
PNG
(3-[5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]p...)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3c[nH]c4cnccc34)c2c1
Show InChI InChI=1S/C18H14N6/c1-24-10-12(6-23-24)11-4-14-16(8-22-18(14)21-5-11)15-7-20-17-9-19-3-2-13(15)17/h2-10,20H,1H3,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The experimental batches are carried out in a flashplate system with 384 wells/microtitration plate.In each case, the PDK1 sample His6-PDK1 (1-50)(3....


US Patent US9725446 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6G95
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM331161
PNG
(3-[5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]p...)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3c[nH]c4cnccc34)c2c1
Show InChI InChI=1S/C18H14N6/c1-24-10-12(6-23-24)11-4-14-16(8-22-18(14)21-5-11)15-7-20-17-9-19-3-2-13(15)17/h2-10,20H,1H3,(H,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay.1 nM IKKε, 800 nM biotinylated IκBα(19-42) peptide (biotin-C6-C6-GLKKERLLDD...


US Patent US9725446 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6G95
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM331161
PNG
(3-[5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]p...)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3c[nH]c4cnccc34)c2c1
Show InChI InChI=1S/C18H14N6/c1-24-10-12(6-23-24)11-4-14-16(8-22-18(14)21-5-11)15-7-20-17-9-19-3-2-13(15)17/h2-10,20H,1H3,(H,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay.0.6 nM TANK binding kinase (TBK1), 800 nM biotinylated MELK-derived peptide (biotin-Ah-Ah-...


US Patent US9725446 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6G95
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM331161
PNG
(3-[5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]p...)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3c[nH]c4cnccc34)c2c1
Show InChI InChI=1S/C18H14N6/c1-24-10-12(6-23-24)11-4-14-16(8-22-18(14)21-5-11)15-7-20-17-9-19-3-2-13(15)17/h2-10,20H,1H3,(H,21,22)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
In-Vitro (Enzyme) Assay for Determination of the Efficacy of the Inhibitors of the Inhibition of TGF-Beta-Mediated EffectsAs an example, the ability ...


US Patent US9725446 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6G95
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM331162
PNG
(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2,7-naphthyridin...)
Show SMILES Nc1ncc(-c2c[nH]c3ncccc23)c2ccncc12
Show InChI InChI=1S/C15H11N5/c16-14-13-6-17-5-3-9(13)11(7-19-14)12-8-20-15-10(12)2-1-4-18-15/h1-8H,(H2,16,19)(H,18,20)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
In-Vitro (Enzyme) Assay for Determination of the Efficacy of the Inhibitors of the Inhibition of TGF-Beta-Mediated EffectsAs an example, the ability ...


US Patent US9725446 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6G95
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM331163
PNG
(1-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,6-nap...)
Show SMILES Cc1[nH]c2ncccc2c1-c1nccc2cnccc12
Show InChI InChI=1S/C16H12N4/c1-10-14(13-3-2-6-19-16(13)20-10)15-12-5-7-17-9-11(12)4-8-18-15/h2-9H,1H3,(H,19,20)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
In-Vitro (Enzyme) Assay for Determination of the Efficacy of the Inhibitors of the Inhibition of TGF-Beta-Mediated EffectsAs an example, the ability ...


US Patent US9725446 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6G95
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM331164
PNG
(5-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,6-nap...)
Show SMILES Cc1[nH]c2ncccc2c1-c1nccc2c(N)nccc12
Show InChI InChI=1S/C16H13N5/c1-9-13(12-3-2-6-20-16(12)21-9)14-10-4-8-19-15(17)11(10)5-7-18-14/h2-8H,1H3,(H2,17,19)(H,20,21)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
In-Vitro (Enzyme) Assay for Determination of the Efficacy of the Inhibitors of the Inhibition of TGF-Beta-Mediated EffectsAs an example, the ability ...


US Patent US9725446 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6G95
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM331165
PNG
(5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2,6-naphthyridin...)
Show SMILES Nc1nccc2c(nccc12)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C15H11N5/c16-14-10-4-6-17-13(9(10)3-7-18-14)12-8-20-15-11(12)2-1-5-19-15/h1-8H,(H2,16,18)(H,19,20)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
In-Vitro (Enzyme) Assay for Determination of the Efficacy of the Inhibitors of the Inhibition of TGF-Beta-Mediated EffectsAs an example, the ability ...


US Patent US9725446 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6G95
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM331166
PNG
(1-methyl-3-[5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrol...)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cn(C)c4cnccc34)c2c1
Show InChI InChI=1S/C19H16N6/c1-24-11-17(14-3-4-20-9-18(14)24)16-8-22-19-15(16)5-12(6-21-19)13-7-23-25(2)10-13/h3-11H,1-2H3,(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The experimental batches are carried out in a flashplate system with 384 wells/microtitration plate.In each case, the PDK1 sample His6-PDK1 (1-50)(3....


US Patent US9725446 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6G95
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM331166
PNG
(1-methyl-3-[5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrol...)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cn(C)c4cnccc34)c2c1
Show InChI InChI=1S/C19H16N6/c1-24-11-17(14-3-4-20-9-18(14)24)16-8-22-19-15(16)5-12(6-21-19)13-7-23-25(2)10-13/h3-11H,1-2H3,(H,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay.1 nM IKKε, 800 nM biotinylated IκBα(19-42) peptide (biotin-C6-C6-GLKKERLLDD...


US Patent US9725446 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6G95
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM331166
PNG
(1-methyl-3-[5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrol...)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cn(C)c4cnccc34)c2c1
Show InChI InChI=1S/C19H16N6/c1-24-11-17(14-3-4-20-9-18(14)24)16-8-22-19-15(16)5-12(6-21-19)13-7-23-25(2)10-13/h3-11H,1-2H3,(H,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The kinase assay is performed as 384-well flashplate assay.0.6 nM TANK binding kinase (TBK1), 800 nM biotinylated MELK-derived peptide (biotin-Ah-Ah-...


US Patent US9725446 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6G95
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM331166
PNG
(1-methyl-3-[5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrol...)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cn(C)c4cnccc34)c2c1
Show InChI InChI=1S/C19H16N6/c1-24-11-17(14-3-4-20-9-18(14)24)16-8-22-19-15(16)5-12(6-21-19)13-7-23-25(2)10-13/h3-11H,1-2H3,(H,21,22)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
In-Vitro (Enzyme) Assay for Determination of the Efficacy of the Inhibitors of the Inhibition of TGF-Beta-Mediated EffectsAs an example, the ability ...


US Patent US9725446 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6G95
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50178298
PNG
(CHEMBL3799935)
Show SMILES Nc1ncc(cc1-c1nc2ccccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C18H14N4/c19-17-14(18-21-15-8-4-5-9-16(15)22-18)10-13(11-20-17)12-6-2-1-3-7-12/h1-11H,(H2,19,20)(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method


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
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50178294
PNG
(CHEMBL3814340)
Show SMILES CCCCc1cc(nc(N)n1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C15H17N5/c1-2-3-5-10-8-13(20-15(16)19-10)12-9-18-14-11(12)6-4-7-17-14/h4,6-9H,2-3,5H2,1H3,(H,17,18)(H2,16,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method


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
3D Structure (crystal)
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50178262
PNG
(CHEMBL3814391)
Show SMILES CCc1cc(nc(N)n1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C13H13N5/c1-2-8-6-11(18-13(14)17-8)10-7-16-12-9(10)4-3-5-15-12/h3-7H,2H2,1H3,(H,15,16)(H2,14,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method


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
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50178263
PNG
(CHEMBL3814350)
Show SMILES CCCc1cc(nc(N)n1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C14H15N5/c1-2-4-9-7-12(19-14(15)18-9)11-8-17-13-10(11)5-3-6-16-13/h3,5-8H,2,4H2,1H3,(H,16,17)(H2,15,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method


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
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50178264
PNG
(CHEMBL3814929)
Show SMILES CCCCCc1cc(nc(N)n1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C16H19N5/c1-2-3-4-6-11-9-14(21-16(17)20-11)13-10-19-15-12(13)7-5-8-18-15/h5,7-10H,2-4,6H2,1H3,(H,18,19)(H2,17,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method


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
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50178293
PNG
(CHEMBL3815046)
Show SMILES CCCCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C23H28N8/c1-2-3-4-17-10-21(30-23(24)29-17)20-13-27-22-19(20)9-15(11-26-22)16-12-28-31(14-16)18-5-7-25-8-6-18/h9-14,18,25H,2-8H2,1H3,(H,26,27)(H2,24,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of PDK1 in human PC3 cells assessed as reduction in AKT Thr308 phosphorylation after 45 mins


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
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50178288
PNG
(CHEMBL3813849)
Show SMILES CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1ccnn1C
Show InChI InChI=1S/C17H17N7/c1-3-11-7-14(23-17(18)22-11)13-9-20-16-12(13)6-10(8-19-16)15-4-5-21-24(15)2/h4-9H,3H2,1-2H3,(H,19,20)(H2,18,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method


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
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50178289
PNG
(CHEMBL3814343)
Show SMILES CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1c(C)nn(C)c1C
Show InChI InChI=1S/C19H21N7/c1-5-13-7-16(24-19(20)23-13)15-9-22-18-14(15)6-12(8-21-18)17-10(2)25-26(4)11(17)3/h6-9H,5H2,1-4H3,(H,21,22)(H2,20,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method


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
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50178280
PNG
(CHEMBL3813962)
Show SMILES CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1ccccc1
Show InChI InChI=1S/C19H17N5/c1-2-14-9-17(24-19(20)23-14)16-11-22-18-15(16)8-13(10-21-18)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,21,22)(H2,20,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method


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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50178290
PNG
(CHEMBL3814770)
Show SMILES CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(CCN(C)C)c1
Show InChI InChI=1S/C20H24N8/c1-4-15-8-18(26-20(21)25-15)17-11-23-19-16(17)7-13(9-22-19)14-10-24-28(12-14)6-5-27(2)3/h7-12H,4-6H2,1-3H3,(H,22,23)(H2,21,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of PI3K alpha (unknown origin)


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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50178293
PNG
(CHEMBL3815046)
Show SMILES CCCCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C23H28N8/c1-2-3-4-17-10-21(30-23(24)29-17)20-13-27-22-19(20)9-15(11-26-22)16-12-28-31(14-16)18-5-7-25-8-6-18/h9-14,18,25H,2-8H2,1H3,(H,26,27)(H2,24,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of PI3K delta (unknown origin)


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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50178292
PNG
(CHEMBL3813933)
Show SMILES CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(CC(C)C)c1
Show InChI InChI=1S/C20H23N7/c1-4-15-6-18(26-20(21)25-15)17-9-23-19-16(17)5-13(7-22-19)14-8-24-27(11-14)10-12(2)3/h5-9,11-12H,4,10H2,1-3H3,(H,22,23)(H2,21,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.70E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of PI3K alpha (unknown origin)


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
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50178285
PNG
(CHEMBL3813865)
Show SMILES CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cn[nH]c1
Show InChI InChI=1S/C16H15N7/c1-2-11-4-14(23-16(17)22-11)13-8-19-15-12(13)3-9(5-18-15)10-6-20-21-7-10/h3-8H,2H2,1H3,(H,18,19)(H,20,21)(H2,17,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 5.40E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of PDK1 in human PC3 cells assessed as reduction in AKT Thr308 phosphorylation after 45 mins


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
3D Structure (crystal)
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM10838
PNG
(3-(2-aminopyrimidin-4-yl)-1H-indol-4-ol | Meridian...)
Show SMILES Nc1nccc(n1)-c1c[nH]c2cccc(O)c12
Show InChI InChI=1S/C12H10N4O/c13-12-14-5-4-8(16-12)7-6-15-9-2-1-3-10(17)11(7)9/h1-6,15,17H,(H2,13,14,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.40E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human PDK1


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
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM331154
PNG
(5-(1H-pyrrolo[2,3-b]pyridin-3-yl)isoquinolin-1-yla...)
Show SMILES Nc1nccc2c(cccc12)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C16H12N4/c17-15-12-4-1-3-10(11(12)6-8-18-15)14-9-20-16-13(14)5-2-7-19-16/h1-9H,(H2,17,18)(H,19,20)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
In-Vitro (Enzyme) Assay for Determination of the Efficacy of the Inhibitors of the Inhibition of TGF-Beta-Mediated EffectsAs an example, the ability ...


US Patent US9725446 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6G95
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM331155
PNG
(1-benzenesulfonyl-3-[5-(1-methyl-1H-pyrazol-4-yl)-...)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cn(c4cnccc34)S(=O)(=O)c3ccccc3)c2c1
Show InChI InChI=1S/C24H18N6O2S/c1-29-14-17(11-28-29)16-9-20-21(12-27-24(20)26-10-16)22-15-30(23-13-25-8-7-19(22)23)33(31,32)18-5-3-2-4-6-18/h2-15H,1H3,(H,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
The experimental batches are carried out in a flashplate system with 384 wells/microtitration plate.In each case, the PDK1 sample His6-PDK1 (1-50)(3....


US Patent US9725446 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6G95
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 128 total )  |  Next  |  Last  >>
Jump to: