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SMILES: COC1CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cnn(C)c1

InChI Key: InChIKey=ZZRDOQNASJKWCE-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 239187   
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))		BDBM239187
PNG
(US9416126, A12)
Show SMILES COC1CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C21H23N7O/c1-27-12-15(11-24-27)14-3-4-18-17(9-14)21(26-25-18)19-10-20(23-13-22-19)28-7-5-16(29-2)6-8-28/h3-4,9-13,16H,5-8H2,1-2H3,(H,25,26)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 2.04n/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