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BDBM138053 US8871934, 646::US8871934, 659

SMILES: CC(C)(C)Cn1cc(cn1)-c1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)C(N)=O

InChI Key: InChIKey=WNQDCKNQPGPVJH-UHFFFAOYSA-N

Data: 2 IC50

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 = 138053   
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
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM138053
PNG
(US8871934, 646 | US8871934, 659)
Show SMILES CC(C)(C)Cn1cc(cn1)-c1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)C(N)=O
Show InChI InChI=1S/C23H22F3N3O2/c1-21(2,3)12-29-11-14(10-28-29)13-8-16(20(27)30)19-15-6-4-5-7-17(15)22(31,18(19)9-13)23(24,25)26/h4-11,31H,12H2,1-3H3,(H2,27,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 16n/an/an/an/a8.030



Japan Tobacco Inc.

US Patent


Assay Description
The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...


US Patent US8871934 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoform 2 (PDHK2)


(Homo sapiens (Human))
BDBM138053
PNG
(US8871934, 646 | US8871934, 659)
Show SMILES CC(C)(C)Cn1cc(cn1)-c1cc2c(-c3ccccc3C2(O)C(F)(F)F)c(c1)C(N)=O
Show InChI InChI=1S/C23H22F3N3O2/c1-21(2,3)12-29-11-14(10-28-29)13-8-16(20(27)30)19-15-6-4-5-7-17(15)22(31,18(19)9-13)23(24,25)26/h4-11,31H,12H2,1-3H3,(H2,27,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 40n/an/an/an/a8.030



Japan Tobacco Inc.

US Patent


Assay Description
The inhibitory action of PDHK activity was indirectly evaluated by performing a kinase reaction in the presence of a test compound and measuring the ...


US Patent US8871934 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZQT
More data for this
Ligand-Target Pair