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BDBM257285 US9493440, 129

SMILES: C[C@H]1CN(CCN1Cc1ncco1)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12

InChI Key: InChIKey=FJXHXRXQXKVANO-XISACWJONA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 257285   
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)(G2019S)


(Homo sapiens (Human))
BDBM257285
PNG
(US9493440, 129)
Show SMILES C[C@H]1CN(CCN1Cc1ncco1)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12
Show InChI InChI=1/C24H27N7O2/c1-16-13-31(9-8-30(16)14-22-25-7-10-32-22)21-12-20(26-15-27-21)23-18-11-17(33-24(2)5-6-24)3-4-19(18)28-29-23/h3-4,7,10-12,15-16H,5-6,8-9,13-14H2,1-2H3,(H,28,29)/t16-/s2
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.600n/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 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair