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BDBM239218 US9416126, D33

SMILES: CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CCF)C(=O)C3)c2c1

InChI Key: InChIKey=KXJKBBFCGVDRCP-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 239218   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM239218
PNG
(US9416126, D33)
Show SMILES CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CCF)C(=O)C3)c2c1
Show InChI InChI=1S/C20H23FN6O2/c1-13(2)29-14-3-4-16-15(9-14)20(25-24-16)17-10-18(23-12-22-17)27-8-7-26(6-5-21)19(28)11-27/h3-4,9-10,12-13H,5-8,11H2,1-2H3,(H,24,25)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.30n/an/an/an/a8.525



Merck Sharp & Dohme Corp

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound(98 μM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well...


US Patent US9416126 (2016)


BindingDB Entry DOI: 10.7270/Q2D50KV9
More data for this
Ligand-Target Pair