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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 323.3
BDBM515000

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

Found 3 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
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM515000
PNG
(US11098044, Example 42)
Show SMILES Cc1cccc(C)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/an/an/a


TBA

Assay Description
c-abl: ADP-Glo assay kit was purchased from Promega. Magnesium chloride (MgCl2), bovine serum albumin (BSA), ethylene glycol-bis(p-aminoethyl ether)-...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2V40ZC8
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM515000
PNG
(US11098044, Example 42)
Show SMILES Cc1cccc(C)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a


TBA

Assay Description
The LRRK2 and LRRK2 G2019S kinase assays were performed using the Adapta™ technology in ThermoFisher Scientific. This experiment was carried out acco...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2V40ZC8
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM515000
PNG
(US11098044, Example 42)
Show SMILES Cc1cccc(C)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1 |r|
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a


TBA

Assay Description
The LRRK2 and LRRK2 G2019S kinase assays were performed using the Adapta™ technology in ThermoFisher Scientific. This experiment was carried out acco...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2V40ZC8
More data for this
Ligand-Target Pair