BDBM105159 CHEMBL2152709::US8569281, 196

SMILES: Cc1[nH]nc2ccnc(OC3CCCC3)c12

InChI Key: InChIKey=HGALVNDKPMQZCT-UHFFFAOYSA-N

Data: 2 KI  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 3 hits for monomerid = 105159   

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))	BDBM105159 (CHEMBL2152709 | US8569281, 196) Show SMILES Cc1[nH]nc2ccnc(OC3CCCC3)c12 Show InChI InChI=1S/C12H15N3O/c1-8-11-10(15-14-8)6-7-13-12(11)16-9-4-2-3-5-9/h6-7,9H,2-5H2,1H3,(H,14,15)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	858	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to LRRK2				ACS Med Chem Lett 3: 701-702 (2012) Article DOI: 10.1021/ml300200p BindingDB Entry DOI: 10.7270/Q2514092
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2) (Homo sapiens (Human))	BDBM105159 (CHEMBL2152709 | US8569281, 196) Show SMILES Cc1[nH]nc2ccnc(OC3CCCC3)c12 Show InChI InChI=1S/C12H15N3O/c1-8-11-10(15-14-8)6-7-13-12(11)16-9-4-2-3-5-9/h6-7,9H,2-5H2,1H3,(H,14,15)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	858	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical Research Council Technology; Genentech, Inc. US Patent					Assay Description This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining Kiapp, IC50 or percent inhibition values.				US Patent US8569281 (2013) BindingDB Entry DOI: 10.7270/Q2DN43PM
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM105159 (CHEMBL2152709 | US8569281, 196) Show SMILES Cc1[nH]nc2ccnc(OC3CCCC3)c12 Show InChI InChI=1S/C12H15N3O/c1-8-11-10(15-14-8)6-7-13-12(11)16-9-4-2-3-5-9/h6-7,9H,2-5H2,1H3,(H,14,15)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
LifeArc Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant catalytic domain (970 to 2527 residues) expressed in baculovirus expression system by ...				Bioorg Med Chem Lett 29: 668-673 (2019) Article DOI: 10.1016/j.bmcl.2018.11.058
					More data for this Ligand-Target Pair