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BDBM50296949 (2Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoic acid::(Z)-5-(4-Chlorophenyl)-3-phenylpent-2-enoicAcid::(Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoic acid::CHEMBL539134::PS48

SMILES: OC(=O)\C=C(\CCc1ccc(Cl)cc1)c1ccccc1

InChI Key: InChIKey=LLJYFDRQFPQGNY-QINSGFPZSA-N

Data: 1 IC50  1 Kd

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 = 50296949   
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))
BDBM50296949
PNG
((2Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoic acid ...)
Show SMILES OC(=O)\C=C(\CCc1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C17H15ClO2/c18-16-10-7-13(8-11-16)6-9-15(12-17(19)20)14-4-2-1-3-5-14/h1-5,7-8,10-12H,6,9H2,(H,19,20)/b15-12-
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MMDB
PDB
Article
PubMed
n/an/an/a 1.03E+4n/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)

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


(Homo sapiens (human))
BDBM50296949
PNG
((2Z)-5-(4-chlorophenyl)-3-phenylpent-2-enoic acid ...)
Show SMILES OC(=O)\C=C(\CCc1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C17H15ClO2/c18-16-10-7-13(8-11-16)6-9-15(12-17(19)20)14-4-2-1-3-5-14/h1-5,7-8,10-12H,6,9H2,(H,19,20)/b15-12-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
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CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
Article
PubMed
n/an/a 9.70E+4n/an/an/an/a7.40



Universit£tsklinikum Frankfurt



Assay Description
The AlphaScreen Assay (Perkin Elmer) was performed according to the manufacturer's protocol in 384-well microtiter plates. Incubations were performe...


ACS Chem Biol 8: 2283-92 (2013)

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