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BDBM50111572 CHEMBL3605057

SMILES: O=C(NCCCNc1nc(Nc2cccc(CN3CCOCC3)c2)ncc1C1CC1)C1CCC1

InChI Key: InChIKey=UKBGBACORPRCGG-UHFFFAOYSA-N

Data: 3 IC50

PDB links: 2 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50111572   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Pyruvate dehydrogenase kinase isoenzyme 1 (PDK1)


(Homo sapiens (human))
BDBM50111572
PNG
(CHEMBL3605057)
Show SMILES O=C(NCCCNc1nc(Nc2cccc(CN3CCOCC3)c2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C26H36N6O2/c33-25(21-5-2-6-21)28-11-3-10-27-24-23(20-8-9-20)17-29-26(31-24)30-22-7-1-4-19(16-22)18-32-12-14-34-15-13-32/h1,4,7,16-17,20-21H,2-3,5-6,8-15,18H2,(H,28,33)(H2,27,29,30,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
PDB
UniChem

Similars

PubMed
n/an/a 421n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of recombinant PDK1 (unknown origin) using PDK1tide substrate incubated for 7 mins


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens)
BDBM50111572
PNG
(CHEMBL3605057)
Show SMILES O=C(NCCCNc1nc(Nc2cccc(CN3CCOCC3)c2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C26H36N6O2/c33-25(21-5-2-6-21)28-11-3-10-27-24-23(20-8-9-20)17-29-26(31-24)30-22-7-1-4-19(16-22)18-32-12-14-34-15-13-32/h1,4,7,16-17,20-21H,2-3,5-6,8-15,18H2,(H,28,33)(H2,27,29,30,31)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem

Similars

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



University of California

Curated by ChEMBL


Assay Description
Inhibition of SUMO-tagged ULK1 (unknown origin) kinase domain expressed in KRX cells using [32P]-gamma-ATP and myelin basic protein substrate incubat...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK2


(Homo sapiens)
BDBM50111572
PNG
(CHEMBL3605057)
Show SMILES O=C(NCCCNc1nc(Nc2cccc(CN3CCOCC3)c2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C26H36N6O2/c33-25(21-5-2-6-21)28-11-3-10-27-24-23(20-8-9-20)17-29-26(31-24)30-22-7-1-4-19(16-22)18-32-12-14-34-15-13-32/h1,4,7,16-17,20-21H,2-3,5-6,8-15,18H2,(H,28,33)(H2,27,29,30,31)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem

Similars

PubMed
n/an/a 230n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of SUMO-tagged ULK2 (unknown origin) kinase domain expressed in KRX cells using [32P]-gamma-ATP and myelin basic protein substrate incubat...


Citation and Details
More data for this
Ligand-Target Pair