BDBM254926 US9499542, 9::US9675594, 9

SMILES: CCc1cc(ccc1CN1CCOCC1)-c1ccnc2[nH]cc(C#N)c12

InChI Key: InChIKey=PHGSTYLIFXUHNG-UHFFFAOYSA-N

Data: 2 IC50  2 EC50

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 4 hits for monomerid = 254926   

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 G2019S (Homo sapiens (Human))	BDBM254926 (US9499542, 9 | US9675594, 9) Show SMILES CCc1cc(ccc1CN1CCOCC1)-c1ccnc2[nH]cc(C#N)c12 Show InChI InChI=1S/C21H22N4O/c1-2-15-11-16(3-4-17(15)14-25-7-9-26-10-8-25)19-5-6-23-21-20(19)18(12-22)13-24-21/h3-6,11,13H,2,7-10,14H2,1H3,(H,23,24)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	8.5	30
H. Lundbeck A/S; Vernalis (R&D) Ltd. US Patent					Assay Description LRRK2 kinase activity is measured using a LanthaScreen kinase activity assay available from Invitrogen (Life Technologies Corporation). The assay is ...				US Patent US9499542 (2016) BindingDB Entry DOI: 10.7270/Q22N516S
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2) (Homo sapiens (Human))	BDBM254926 (US9499542, 9 | US9675594, 9) Show SMILES CCc1cc(ccc1CN1CCOCC1)-c1ccnc2[nH]cc(C#N)c12 Show InChI InChI=1S/C21H22N4O/c1-2-15-11-16(3-4-17(15)14-25-7-9-26-10-8-25)19-5-6-23-21-20(19)18(12-22)13-24-21/h3-6,11,13H,2,7-10,14H2,1H3,(H,23,24)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	149	n/a	n/a	n/a	n/a
NMMLSC US Patent					Assay Description In the assay, 1 nM LRRK2 WT or 250 pM LRRK2 G2019S kinase is incubated with the test compound (typically at 0 to 30 μM) for 30 minutes before th...				US Patent US9675594 (2017) BindingDB Entry DOI: 10.7270/Q2ZC8110
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S) (Homo sapiens (Human))	BDBM254926 (US9499542, 9 | US9675594, 9) Show SMILES CCc1cc(ccc1CN1CCOCC1)-c1ccnc2[nH]cc(C#N)c12 Show InChI InChI=1S/C21H22N4O/c1-2-15-11-16(3-4-17(15)14-25-7-9-26-10-8-25)19-5-6-23-21-20(19)18(12-22)13-24-21/h3-6,11,13H,2,7-10,14H2,1H3,(H,23,24)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	26	n/a	n/a	n/a	n/a
NMMLSC US Patent					Assay Description In the assay, 1 nM LRRK2 WT or 250 pM LRRK2 G2019S kinase is incubated with the test compound (typically at 0 to 30 μM) for 30 minutes before th...				US Patent US9675594 (2017) BindingDB Entry DOI: 10.7270/Q2ZC8110
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2) (Homo sapiens (Human))	BDBM254926 (US9499542, 9 | US9675594, 9) Show SMILES CCc1cc(ccc1CN1CCOCC1)-c1ccnc2[nH]cc(C#N)c12 Show InChI InChI=1S/C21H22N4O/c1-2-15-11-16(3-4-17(15)14-25-7-9-26-10-8-25)19-5-6-23-21-20(19)18(12-22)13-24-21/h3-6,11,13H,2,7-10,14H2,1H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	149	n/a	n/a	n/a	n/a	8.5	30
H. Lundbeck A/S; Vernalis (R&D) Ltd. US Patent					Assay Description LRRK2 kinase activity is measured using a LanthaScreen kinase activity assay available from Invitrogen (Life Technologies Corporation). The assay is ...				US Patent US9499542 (2016) BindingDB Entry DOI: 10.7270/Q22N516S
					More data for this Ligand-Target Pair