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BDBM239486 US9416126, P18

SMILES: OCCNC(=O)c1ccc(cc1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1

InChI Key: InChIKey=XZISLLZLCQLDHP-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 239486   
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))
BDBM239486
PNG
(US9416126, P18)
Show SMILES OCCNC(=O)c1ccc(cc1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1
Show InChI InChI=1S/C24H24N6O3/c31-10-7-25-24(32)17-3-1-16(2-4-17)18-5-6-20-19(13-18)23(29-28-20)21-14-22(27-15-26-21)30-8-11-33-12-9-30/h1-6,13-15,31H,7-12H2,(H,25,32)(H,28,29)
PDB

GoogleScholar
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 154n/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