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SMILES: CNc1nc(Nc2ccc(cc2C)C(=O)N2CCOCC2)ncc1Cl

InChI Key: InChIKey=QUNPHSMWVSWDRP-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50396152   

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 (Homo sapiens (Human))	BDBM50396152 (CHEMBL2171741 | US8802674, 232) Show SMILES CNc1nc(Nc2ccc(cc2C)C(=O)N2CCOCC2)ncc1Cl Show InChI InChI=1S/C17H20ClN5O2/c1-11-9-12(16(24)23-5-7-25-8-6-23)3-4-14(11)21-17-20-10-13(18)15(19-2)22-17/h3-4,9-10H,5-8H2,1-2H3,(H2,19,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of LRRK2				J Med Chem 55: 5536-45 (2012) Article DOI: 10.1021/jm300452p BindingDB Entry DOI: 10.7270/Q2RR20CQ
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50396152 (CHEMBL2171741 | US8802674, 232) Show SMILES CNc1nc(Nc2ccc(cc2C)C(=O)N2CCOCC2)ncc1Cl Show InChI InChI=1S/C17H20ClN5O2/c1-11-9-12(16(24)23-5-7-25-8-6-23)3-4-14(11)21-17-20-10-13(18)15(19-2)22-17/h3-4,9-10H,5-8H2,1-2H3,(H2,19,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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 US8802674 (2014) BindingDB Entry DOI: 10.7270/Q2GF0S6N
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50396152 (CHEMBL2171741 | US8802674, 232) Show SMILES CNc1nc(Nc2ccc(cc2C)C(=O)N2CCOCC2)ncc1Cl Show InChI InChI=1S/C17H20ClN5O2/c1-11-9-12(16(24)23-5-7-25-8-6-23)3-4-14(11)21-17-20-10-13(18)15(19-2)22-17/h3-4,9-10H,5-8H2,1-2H3,(H2,19,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK2				J Med Chem 55: 5536-45 (2012) Article DOI: 10.1021/jm300452p BindingDB Entry DOI: 10.7270/Q2RR20CQ
					More data for this Ligand-Target Pair