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BDBM50125816 CHEMBL1439113

SMILES: Cc1cccc(C)c1OCCSc1nc2ccccc2n1CC(O)=O

InChI Key: InChIKey=ZAHFRMHMWCBLOL-UHFFFAOYSA-N

Data: 1 Kd  1 EC50

PDB links: 1 PDB ID matches 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 2 hits for monomerid = 50125816   
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
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50125816
PNG
(CHEMBL1439113)
Show SMILES Cc1cccc(C)c1OCCSc1nc2ccccc2n1CC(O)=O
Show InChI InChI=1S/C19H20N2O3S/c1-13-6-5-7-14(2)18(13)24-10-11-25-19-20-15-8-3-4-9-16(15)21(19)12-17(22)23/h3-9H,10-12H2,1-2H3,(H,22,23)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
PDB
UniChem

Similars

PDB
PubMed
n/an/an/an/a 2.00E+3n/an/an/an/a



Bioinformatics Institute (BII)

Curated by ChEMBL


Assay Description
Activation of human PDK1 catalytic activity using PIFtide as substrate after 1 hr by phosphor imager analysis in presence of [gamma-32P]-ATP relative...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50125816
PNG
(CHEMBL1439113)
Show SMILES Cc1cccc(C)c1OCCSc1nc2ccccc2n1CC(O)=O
Show InChI InChI=1S/C19H20N2O3S/c1-13-6-5-7-14(2)18(13)24-10-11-25-19-20-15-8-3-4-9-16(15)21(19)12-17(22)23/h3-9H,10-12H2,1-2H3,(H,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem

Similars

PDB
PubMed
n/an/an/a 8.00E+3n/an/an/an/an/a



Bioinformatics Institute (BII)

Curated by ChEMBL


Assay Description
Displacement of PIFtide from human PDK1 PIF pocket after 1 hr by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)