BDBM50059422 CHEMBL3393350::US9156845, 29

SMILES: COC1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12

InChI Key: InChIKey=XDLWXDDVQIGMJO-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50059422   

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))	BDBM50059422 (CHEMBL3393350 | US9156845, 29) Show SMILES COC1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12 Show InChI InChI=1S/C19H19N5O/c1-25-15-6-3-7-24(11-15)19-17-16(10-21-18(17)22-12-23-19)14-5-2-4-13(8-14)9-20/h2,4-5,8,10,12,15H,3,6-7,11H2,1H3,(H,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	79	n/a	n/a	n/a	n/a	7.5	n/a
Pfizer Inc. US Patent					Assay Description LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incu...				US Patent US9156845 (2015) BindingDB Entry DOI: 10.7270/Q2DB80MW
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2) (Homo sapiens (Human))	BDBM50059422 (CHEMBL3393350 | US9156845, 29) Show SMILES COC1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12 Show InChI InChI=1S/C19H19N5O/c1-25-15-6-3-7-24(11-15)19-17-16(10-21-18(17)22-12-23-19)14-5-2-4-13(8-14)9-20/h2,4-5,8,10,12,15H,3,6-7,11H2,1H3,(H,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of GST-tagged truncated human recombinant LRRK2 using fluorescein-labeled LRRKtide peptide substrate incubated for 2 hrs				J Med Chem 58: 419-32 (2015) Article DOI: 10.1021/jm5014055 BindingDB Entry DOI: 10.7270/Q2XS5X2W
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2) (Homo sapiens (Human))	BDBM50059422 (CHEMBL3393350 | US9156845, 29) Show SMILES COC1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12 Show InChI InChI=1S/C19H19N5O/c1-25-15-6-3-7-24(11-15)19-17-16(10-21-18(17)22-12-23-19)14-5-2-4-13(8-14)9-20/h2,4-5,8,10,12,15H,3,6-7,11H2,1H3,(H,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	154	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of GST-tagged truncated human recombinant LRRK2 G2019S mutant using fluorescein-labeled LRRKtide peptide substrate incubated for 90 mins				J Med Chem 58: 419-32 (2015) Article DOI: 10.1021/jm5014055 BindingDB Entry DOI: 10.7270/Q2XS5X2W
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S (Homo sapiens (Human))	BDBM50059422 (CHEMBL3393350 | US9156845, 29) Show SMILES COC1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12 Show InChI InChI=1S/C19H19N5O/c1-25-15-6-3-7-24(11-15)19-17-16(10-21-18(17)22-12-23-19)14-5-2-4-13(8-14)9-20/h2,4-5,8,10,12,15H,3,6-7,11H2,1H3,(H,21,22,23)	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	154	n/a	n/a	n/a	n/a	7.5	n/a
Pfizer Inc. US Patent					Assay Description LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incu...				US Patent US9156845 (2015) BindingDB Entry DOI: 10.7270/Q2DB80MW
					More data for this Ligand-Target Pair