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SMILES: CC[C@@H]1CN([C@@H](CC)CN1C(c1cc(on1)C1CC1)c1ccc(OC(F)(F)F)cc1)c1nc(=O)n(C)c2ccc(nc12)C#N

InChI Key:

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 6 hits for monomerid = 594248   
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
Diacylglycerol kinase alpha


(Homo sapiens)
BDBM594248
PNG
(US11584747, Example 42 | US11584747, Example 43)
Show SMILES CC[C@@H]1CN([C@@H](CC)CN1C(c1cc(on1)C1CC1)c1ccc(OC(F)(F)F)cc1)c1nc(=O)n(C)c2ccc(nc12)C#N |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 78n/an/an/an/an/an/a


TBA

Assay Description
The reactions were carried out in 50 mM MOPS pH 7.5, 100 mM NaCl, 10 mM MgCl2, 1 μM CaCl2, and 1 mM DTT (assay buffer). The reactions using a de...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z89HB5
More data for this
Ligand-Target Pair
Diacylglycerol kinase alpha [9-727]


(Homo sapiens)
BDBM594248
PNG
(US11584747, Example 42 | US11584747, Example 43)
Show SMILES CC[C@@H]1CN([C@@H](CC)CN1C(c1cc(on1)C1CC1)c1ccc(OC(F)(F)F)cc1)c1nc(=O)n(C)c2ccc(nc12)C#N |r|
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7n/an/an/an/an/an/a


TBA

Assay Description
The reactions were carried out in 50 mM MOPS pH 7.5, 100 mM NaCl, 10 mM MgCl2, 1 μM CaCl2, and 1 mM DTT (assay buffer). The reactions using a de...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z89HB5
More data for this
Ligand-Target Pair
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM594248
PNG
(US11584747, Example 42 | US11584747, Example 43)
Show SMILES CC[C@@H]1CN([C@@H](CC)CN1C(c1cc(on1)C1CC1)c1ccc(OC(F)(F)F)cc1)c1nc(=O)n(C)c2ccc(nc12)C#N |r|
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 130n/an/an/an/an/an/a


TBA

Assay Description
The reactions were carried out in 50 mM MOPS pH 7.5, 100 mM NaCl, 10 mM MgCl2, 1 μM CaCl2, and 1 mM DTT (assay buffer). The reactions using a de...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z89HB5
More data for this
Ligand-Target Pair
Diacylglycerol kinase alpha


(Homo sapiens)
BDBM594248
PNG
(US11584747, Example 42 | US11584747, Example 43)
Show SMILES CC[C@@H]1CN([C@@H](CC)CN1C(c1cc(on1)C1CC1)c1ccc(OC(F)(F)F)cc1)c1nc(=O)n(C)c2ccc(nc12)C#N |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 22n/an/an/an/an/an/a


TBA

Assay Description
The reactions were carried out in 50 mM MOPS pH 7.5, 100 mM NaCl, 10 mM MgCl2, 1 μM CaCl2, and 1 mM DTT (assay buffer). The reactions using a de...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z89HB5
More data for this
Ligand-Target Pair
Diacylglycerol kinase alpha [9-727]


(Homo sapiens)
BDBM594248
PNG
(US11584747, Example 42 | US11584747, Example 43)
Show SMILES CC[C@@H]1CN([C@@H](CC)CN1C(c1cc(on1)C1CC1)c1ccc(OC(F)(F)F)cc1)c1nc(=O)n(C)c2ccc(nc12)C#N |r|
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 82n/an/an/an/an/an/a


TBA

Assay Description
The reactions were carried out in 50 mM MOPS pH 7.5, 100 mM NaCl, 10 mM MgCl2, 1 μM CaCl2, and 1 mM DTT (assay buffer). The reactions using a de...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z89HB5
More data for this
Ligand-Target Pair
Diacylglycerol kinase zeta


(Homo sapiens)
BDBM594248
PNG
(US11584747, Example 42 | US11584747, Example 43)
Show SMILES CC[C@@H]1CN([C@@H](CC)CN1C(c1cc(on1)C1CC1)c1ccc(OC(F)(F)F)cc1)c1nc(=O)n(C)c2ccc(nc12)C#N |r|
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 110n/an/an/an/an/an/a


TBA

Assay Description
The reactions were carried out in 50 mM MOPS pH 7.5, 100 mM NaCl, 10 mM MgCl2, 1 μM CaCl2, and 1 mM DTT (assay buffer). The reactions using a de...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z89HB5
More data for this
Ligand-Target Pair