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3 similar compounds to monomer 50229972

Compile data set for download or QSAR
Wt: 223.2
BDBM25527
Wt: 412.2
BDBM50269796

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 25527,50269796   
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
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50269796
PNG
(CHEMBL4105171)
Show SMILES COc1cccc(NC(=O)c2cc(Br)ccc2OCc2ccccc2)c1
Show InChI InChI=1S/C21H18BrNO3/c1-25-18-9-5-8-17(13-18)23-21(24)19-12-16(22)10-11-20(19)26-14-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,23,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 126n/an/an/an/an/an/a



Neurodegeneration DPU

Curated by ChEMBL


Assay Description
Inhibition of LRRK2 (unknown origin) by HTRF assay


Bioorg Med Chem Lett 27: 4034-4038 (2017)

More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM25527
PNG
(12,14-dioxa-8-azatetracyclo[8.7.0.0^{2,7}.0^{11,15...)
Show SMILES C1Oc2ccc3c(cnc4ccccc34)c2O1
Show InChI InChI=1S/C14H9NO2/c1-2-4-12-10(3-1)9-5-6-13-14(17-8-16-13)11(9)7-15-12/h1-7H,8H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/a8.022



A*STAR



Assay Description
In the fluorescence polarization assay, the Bcl-XL protein is incubated with a fluorescein-tagged Bak-BH3 peptide. The Bcl-XL:Bak-BH3 peptide complex...


J Med Chem 51: 6699-710 (2008)


Article DOI: 10.1021/jm8005433
BindingDB Entry DOI: 10.7270/Q25M641R
More data for this
Ligand-Target Pair