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SMILES: CC1(C)CC(=O)C=C(C1)c1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1

InChI Key: InChIKey=LEHKXXTVECKPQE-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 239527   
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))		BDBM239527
PNG
(US9416126, U11)
Show SMILES CC1(C)CC(=O)C=C(C1)c1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1 |c:6|
Show InChI InChI=1S/C23H25N5O2/c1-23(2)12-16(9-17(29)13-23)15-3-4-19-18(10-15)22(27-26-19)20-11-21(25-14-24-20)28-5-7-30-8-6-28/h3-4,9-11,14H,5-8,12-13H2,1-2H3,(H,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.63n/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