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BDBM50125790 CHEMBL3623846

SMILES: OP(O)(=O)[C@H](NC[C@@H]1CCCc2ccccc12)c1ccc(F)cc1

InChI Key: InChIKey=IZVZWRXPGQHJMQ-YJBOKZPZSA-N

Data: 1 Kd  1 EC50

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 = 50125790   
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))
BDBM50125790
PNG
(CHEMBL3623846)
Show SMILES OP(O)(=O)[C@H](NC[C@@H]1CCCc2ccccc12)c1ccc(F)cc1
Show InChI InChI=1S/C18H21FNO3P/c19-16-10-8-14(9-11-16)18(24(21,22)23)20-12-15-6-3-5-13-4-1-2-7-17(13)15/h1-2,4,7-11,15,18,20H,3,5-6,12H2,(H2,21,22,23)/t15-,18-/m0/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 3.94E+4n/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


J Med Chem 58: 8285-91 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01216
BindingDB Entry DOI: 10.7270/Q2NS0WR2
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50125790
PNG
(CHEMBL3623846)
Show SMILES OP(O)(=O)[C@H](NC[C@@H]1CCCc2ccccc12)c1ccc(F)cc1
Show InChI InChI=1S/C18H21FNO3P/c19-16-10-8-14(9-11-16)18(24(21,22)23)20-12-15-6-3-5-13-4-1-2-7-17(13)15/h1-2,4,7-11,15,18,20H,3,5-6,12H2,(H2,21,22,23)/t15-,18-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 5.00E+4n/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...


J Med Chem 58: 8285-91 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01216
BindingDB Entry DOI: 10.7270/Q2NS0WR2
More data for this
Ligand-Target Pair