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SMILES: Cn1cc(cn1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCOC4(CC4)C3)c2c1

InChI Key: InChIKey=CODBROAACHPBQA-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 239180   
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 [970-2527]


(Homo sapiens (Human))
BDBM239180
PNG
(US9416126, A4)
Show SMILES Cn1cc(cn1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCOC4(CC4)C3)c2c1
Show InChI InChI=1S/C21H21N7O/c1-27-11-15(10-24-27)14-2-3-17-16(8-14)20(26-25-17)18-9-19(23-13-22-18)28-6-7-29-21(12-28)4-5-21/h2-3,8-11,13H,4-7,12H2,1H3,(H,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.01n/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