BDBM50428706 CHEMBL2333138::US9884828, 2-136

SMILES: NC(=O)c1nnc2cc(ccc2c1NCCCO)-c1ccncc1

InChI Key: InChIKey=YAGKSVSVQYJXKY-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50428706   

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))	BDBM50428706 (CHEMBL2333138 | US9884828, 2-136) Show SMILES NC(=O)c1nnc2cc(ccc2c1NCCCO)-c1ccncc1 Show InChI InChI=1S/C17H17N5O2/c18-17(24)16-15(20-6-1-9-23)13-3-2-12(10-14(13)21-22-16)11-4-7-19-8-5-11/h2-5,7-8,10,23H,1,6,9H2,(H2,18,24)(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	120	n/a	n/a	n/a	n/a	7.5	25
Imago Pharmaceuticals, Inc. US Patent					Assay Description Compounds as described herein (compounds of Formula I, e.g., compounds of the above Examples) are tested for their in vitro kinase activities using v...				US Patent US9884828 (2018) BindingDB Entry DOI: 10.7270/Q2NG4SNW
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2) (Homo sapiens (Human))	BDBM50428706 (CHEMBL2333138 | US9884828, 2-136) Show SMILES NC(=O)c1nnc2cc(ccc2c1NCCCO)-c1ccncc1 Show InChI InChI=1S/C17H17N5O2/c18-17(24)16-15(20-6-1-9-23)13-3-2-12(10-14(13)21-22-16)11-4-7-19-8-5-11/h2-5,7-8,10,23H,1,6,9H2,(H2,18,24)(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	121	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory...				Bioorg Med Chem Lett 23: 71-4 (2012) Article DOI: 10.1016/j.bmcl.2012.11.021 BindingDB Entry DOI: 10.7270/Q2930VHH
					More data for this Ligand-Target Pair