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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 474.5
BDBM637202

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

Found 2 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
Protein delta homolog 1


(Homo sapiens (Human))
BDBM637202
PNG
(US20230382904, Compound 122)
Show SMILES CC(C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)N[C@H]1CCCc2ccccc12 |r|
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 6n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 13


(Homo sapiens (Human))
BDBM637202
PNG
(US20230382904, Compound 122)
Show SMILES CC(C)NC(=O)c1cc(cn2nc(N)nc12)-c1csc(c1)C(=O)N[C@H]1CCCc2ccccc12 |r|
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 360n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair