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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 516.5
BDBM585271

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
TRAF2 and NCK-interacting protein kinase


(Homo sapiens (Human))
BDBM585271
PNG
(US11530197, Compound 99)
Show SMILES CC(C)n1cnc(c1-c1nc(c[nH]1)C(=O)Nc1ccc(cc1)N1CCN(CC1)C(N)=O)-c1ccc(F)cc1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>120n/an/an/an/an/an/a


TBA

Assay Description
TNIK(h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 μM RLGRDKYKTLRQIRQ, 10 mM Magnesium Acetate and [gamma-33P-ATP](specific activity a...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2GF0ZCZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM585271
PNG
(US11530197, Compound 99)
Show SMILES CC(C)n1cnc(c1-c1nc(c[nH]1)C(=O)Nc1ccc(cc1)N1CCN(CC1)C(N)=O)-c1ccc(F)cc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>120n/an/an/an/an/an/a


TBA

Assay Description
The required volume of the 50× stock of test compound was added to the assay before a reaction mix containing the enzyme and substrate was added. The...


Citation and Details

BindingDB Entry DOI: 10.7270/Q270858G
More data for this
Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase


(Homo sapiens (Human))
BDBM585271
PNG
(US11530197, Compound 99)
Show SMILES CC(C)n1cnc(c1-c1nc(c[nH]1)C(=O)Nc1ccc(cc1)N1CCN(CC1)C(N)=O)-c1ccc(F)cc1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>120n/an/an/an/an/an/a


TBA

Assay Description
The required volume of the 50× stock of test compound was added to the assay before a reaction mix containing the enzyme and substrate was added. The...


Citation and Details

BindingDB Entry DOI: 10.7270/Q270858G
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM585271
PNG
(US11530197, Compound 99)
Show SMILES CC(C)n1cnc(c1-c1nc(c[nH]1)C(=O)Nc1ccc(cc1)N1CCN(CC1)C(N)=O)-c1ccc(F)cc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>120n/an/an/an/an/an/a


TBA

Assay Description
MAP4K4 (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 μM RLGRDKYKTLRQIRQ, 10 mM Magnesium Acetate and [gamma-33P-ATP](specific activit...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2GF0ZCZ
More data for this
Ligand-Target Pair