BindingDB logo
myBDB logout

BDBM50399646 CHEMBL2177668::PS210

SMILES: OC(=O)C(C(CC(=O)c1ccc(cc1)C(F)(F)F)c1ccccc1)C(O)=O

InChI Key: InChIKey=MLJPLHGJBUWCBA-UHFFFAOYSA-N

Data: 1 IC50  2 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 3 hits for monomerid = 50399646   
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
Serine/threonine-protein kinase 2 (CaPkh2)


(Candida albicans SC5314)
BDBM50399646
PNG
(CHEMBL2177668 | PS210)
Show SMILES OC(=O)C(C(CC(=O)c1ccc(cc1)C(F)(F)F)c1ccccc1)C(O)=O
Show InChI InChI=1S/C19H15F3O5/c20-19(21,22)13-8-6-12(7-9-13)15(23)10-14(11-4-2-1-3-5-11)16(17(24)25)18(26)27/h1-9,14,16H,10H2,(H,24,25)(H,26,27)
PDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/an/a 6.00E+4n/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
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM50399646
PNG
(CHEMBL2177668 | PS210)
Show SMILES OC(=O)C(C(CC(=O)c1ccc(cc1)C(F)(F)F)c1ccccc1)C(O)=O
Show InChI InChI=1S/C19H15F3O5/c20-19(21,22)13-8-6-12(7-9-13)15(23)10-14(11-4-2-1-3-5-11)16(17(24)25)18(26)27/h1-9,14,16H,10H2,(H,24,25)(H,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/an/a 8.58E+4n/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Increase in thermal stability of PDK1 by differential scanning fluorimetry


J Med Chem 55: 9817-30 (2012)

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


(Homo sapiens (human))
BDBM50399646
PNG
(CHEMBL2177668 | PS210)
Show SMILES OC(=O)C(C(CC(=O)c1ccc(cc1)C(F)(F)F)c1ccccc1)C(O)=O
Show InChI InChI=1S/C19H15F3O5/c20-19(21,22)13-8-6-12(7-9-13)15(23)10-14(11-4-2-1-3-5-11)16(17(24)25)18(26)27/h1-9,14,16H,10H2,(H,24,25)(H,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 3.90E+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)