BDBM239536 US9416126, U20

SMILES: COc1ccncc1-c1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)S(C)(=O)=O)c2c1

InChI Key: InChIKey=AYZXEIULRNNYQY-UHFFFAOYSA-N

Data: 1 IC50

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 = 239536   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2) (Homo sapiens (Human))	BDBM239536 (US9416126, U20) Show SMILES COc1ccncc1-c1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)S(C)(=O)=O)c2c1 Show InChI InChI=1S/C22H23N7O3S/c1-32-20-5-6-23-13-17(20)15-3-4-18-16(11-15)22(27-26-18)19-12-21(25-14-24-19)28-7-9-29(10-8-28)33(2,30)31/h3-6,11-14H,7-10H2,1-2H3,(H,26,27)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.58	n/a	n/a	n/a	n/a	8.5	25
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