BDBM50059347 CHEMBL3393353::US9156845, 93

SMILES: C1CN(CCO1)c1ncnc2[nH]cc(-c3ccccc3)c12

InChI Key: InChIKey=MUOUHNBOXJIELS-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50059347   

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))	BDBM50059347 (CHEMBL3393353 | US9156845, 93) Show SMILES C1CN(CCO1)c1ncnc2[nH]cc(-c3ccccc3)c12 Show InChI InChI=1S/C16H16N4O/c1-2-4-12(5-3-1)13-10-17-15-14(13)16(19-11-18-15)20-6-8-21-9-7-20/h1-5,10-11H,6-9H2,(H,17,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9	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 G2019S (Homo sapiens (Human))	BDBM50059347 (CHEMBL3393353 | US9156845, 93) Show SMILES C1CN(CCO1)c1ncnc2[nH]cc(-c3ccccc3)c12 Show InChI InChI=1S/C16H16N4O/c1-2-4-12(5-3-1)13-10-17-15-14(13)16(19-11-18-15)20-6-8-21-9-7-20/h1-5,10-11H,6-9H2,(H,17,18,19)	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14	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))	BDBM50059347 (CHEMBL3393353 | US9156845, 93) Show SMILES C1CN(CCO1)c1ncnc2[nH]cc(-c3ccccc3)c12 Show InChI InChI=1S/C16H16N4O/c1-2-4-12(5-3-1)13-10-17-15-14(13)16(19-11-18-15)20-6-8-21-9-7-20/h1-5,10-11H,6-9H2,(H,17,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	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))	BDBM50059347 (CHEMBL3393353 | US9156845, 93) Show SMILES C1CN(CCO1)c1ncnc2[nH]cc(-c3ccccc3)c12 Show InChI InChI=1S/C16H16N4O/c1-2-4-12(5-3-1)13-10-17-15-14(13)16(19-11-18-15)20-6-8-21-9-7-20/h1-5,10-11H,6-9H2,(H,17,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	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 (LRRK2) (Homo sapiens (Human))	BDBM50059347 (CHEMBL3393353 | US9156845, 93) Show SMILES C1CN(CCO1)c1ncnc2[nH]cc(-c3ccccc3)c12 Show InChI InChI=1S/C16H16N4O/c1-2-4-12(5-3-1)13-10-17-15-14(13)16(19-11-18-15)20-6-8-21-9-7-20/h1-5,10-11H,6-9H2,(H,17,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	198	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of full length LRRK2 (unknown origin) expressed in HEK293 cells assessed as reduction in S935 phosphorylation incubated for 90 mins by ELI...				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