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BDBM50296954 (Z)-5-(4-bromo-2-fluorophenyl)-3-phenylpent-2-enoic acid::CHEMBL552276

SMILES: OC(=O)\C=C(\CCc1ccc(Br)cc1F)c1ccccc1

InChI Key: InChIKey=TXZZTTXGFQGOTL-UVTDQMKNSA-N

Data: 2 Kd

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 = 50296954   
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))
BDBM50296954
PNG
((Z)-5-(4-bromo-2-fluorophenyl)-3-phenylpent-2-enoi...)
Show SMILES OC(=O)\C=C(\CCc1ccc(Br)cc1F)c1ccccc1
Show InChI InChI=1S/C17H14BrFO2/c18-15-9-8-13(16(19)11-15)6-7-14(10-17(20)21)12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H,20,21)/b14-10-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 6.20E+3n/an/an/an/an/a



Universit£tsklinikum Frankfurt

Curated by ChEMBL


Assay Description
Binding affinity to human PDPK1 Y288G/Q292A mutant expressed in insect cell system assessed as substrate phosphorylation by isothermal titration calo...


Nat Chem Biol 5: 758-64 (2009)


Article DOI: 10.1038/nchembio.208
BindingDB Entry DOI: 10.7270/Q2V98BXR
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50296954
PNG
((Z)-5-(4-bromo-2-fluorophenyl)-3-phenylpent-2-enoi...)
Show SMILES OC(=O)\C=C(\CCc1ccc(Br)cc1F)c1ccccc1
Show InChI InChI=1S/C17H14BrFO2/c18-15-9-8-13(16(19)11-15)6-7-14(10-17(20)21)12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H,20,21)/b14-10-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 6.20E+3n/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Binding affinity to PDK1 (50 to 359) by isothermal titration calorimetry


J Med Chem 52: 4683-93 (2009)


Article DOI: 10.1021/jm9001499
BindingDB Entry DOI: 10.7270/Q2FB52ZC
More data for this
Ligand-Target Pair