null

SMILES: Cn1ccc(Nc2cc(-c3ccccc3)c3c(c[nH]c3n2)C#N)n1

InChI Key: InChIKey=XXZAJGJUAVDOEK-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 254930   

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 [G2019S] (Homo sapiens (Human))	BDBM254930 (US9499542, 13 | US9675594, 13) Show SMILES Cn1ccc(Nc2cc(-c3ccccc3)c3c(c[nH]c3n2)C#N)n1 Show InChI InChI=1S/C18H14N6/c1-24-8-7-15(23-24)21-16-9-14(12-5-3-2-4-6-12)17-13(10-19)11-20-18(17)22-16/h2-9,11H,1H3,(H2,20,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	58	n/a	n/a	n/a	n/a	8.5	30
H. Lundbeck A/S; Vernalis (R&D) Ltd. US Patent					Assay Description LRRK2 kinase activity is measured using a LanthaScreen kinase activity assay available from Invitrogen (Life Technologies Corporation). The assay is ...				US Patent US9499542 (2016) BindingDB Entry DOI: 10.7270/Q22N516S
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM254930 (US9499542, 13 | US9675594, 13) Show SMILES Cn1ccc(Nc2cc(-c3ccccc3)c3c(c[nH]c3n2)C#N)n1 Show InChI InChI=1S/C18H14N6/c1-24-8-7-15(23-24)21-16-9-14(12-5-3-2-4-6-12)17-13(10-19)11-20-18(17)22-16/h2-9,11H,1H3,(H2,20,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	48	n/a	n/a	n/a	n/a	8.5	30
H. Lundbeck A/S; Vernalis (R&D) Ltd. US Patent					Assay Description LRRK2 kinase activity is measured using a LanthaScreen kinase activity assay available from Invitrogen (Life Technologies Corporation). The assay is ...				US Patent US9499542 (2016) BindingDB Entry DOI: 10.7270/Q22N516S
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [970-2527,G2019S] (Homo sapiens (Human))	BDBM254930 (US9499542, 13 | US9675594, 13) Show SMILES Cn1ccc(Nc2cc(-c3ccccc3)c3c(c[nH]c3n2)C#N)n1 Show InChI InChI=1S/C18H14N6/c1-24-8-7-15(23-24)21-16-9-14(12-5-3-2-4-6-12)17-13(10-19)11-20-18(17)22-16/h2-9,11H,1H3,(H2,20,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	58	n/a	n/a	n/a	n/a
NMMLSC US Patent					Assay Description In the assay, 1 nM LRRK2 WT or 250 pM LRRK2 G2019S kinase is incubated with the test compound (typically at 0 to 30 μM) for 30 minutes before th...				US Patent US9675594 (2017) BindingDB Entry DOI: 10.7270/Q2ZC8110
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM254930 (US9499542, 13 | US9675594, 13) Show SMILES Cn1ccc(Nc2cc(-c3ccccc3)c3c(c[nH]c3n2)C#N)n1 Show InChI InChI=1S/C18H14N6/c1-24-8-7-15(23-24)21-16-9-14(12-5-3-2-4-6-12)17-13(10-19)11-20-18(17)22-16/h2-9,11H,1H3,(H2,20,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd. Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged LRRK2 G2019S mutant (970 to 2527 residues) expressed in baculovirus using fluorescein-LRRKtide as substrat...				J Med Chem 60: 8945-8962 (2017) Article DOI: 10.1021/acs.jmedchem.7b01186 BindingDB Entry DOI: 10.7270/Q2BR8VMR
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM254930 (US9499542, 13 | US9675594, 13) Show SMILES Cn1ccc(Nc2cc(-c3ccccc3)c3c(c[nH]c3n2)C#N)n1 Show InChI InChI=1S/C18H14N6/c1-24-8-7-15(23-24)21-16-9-14(12-5-3-2-4-6-12)17-13(10-19)11-20-18(17)22-16/h2-9,11H,1H3,(H2,20,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd. Curated by ChEMBL					Assay Description Inhibition of human wild type LRRK2 phosphorylation at ser935 transfected in HEK293 cells after 48 hrs by in-cell Western assay				J Med Chem 60: 8945-8962 (2017) Article DOI: 10.1021/acs.jmedchem.7b01186 BindingDB Entry DOI: 10.7270/Q2BR8VMR
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM254930 (US9499542, 13 | US9675594, 13) Show SMILES Cn1ccc(Nc2cc(-c3ccccc3)c3c(c[nH]c3n2)C#N)n1 Show InChI InChI=1S/C18H14N6/c1-24-8-7-15(23-24)21-16-9-14(12-5-3-2-4-6-12)17-13(10-19)11-20-18(17)22-16/h2-9,11H,1H3,(H2,20,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd. Curated by ChEMBL					Assay Description Inhibition of human wild type LRRK2 phosphorylation at ser935 expressed in BacMam transduced HEK293 cells after 48 hrs by in-cell Western assay				J Med Chem 60: 8945-8962 (2017) Article DOI: 10.1021/acs.jmedchem.7b01186 BindingDB Entry DOI: 10.7270/Q2BR8VMR
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM254930 (US9499542, 13 | US9675594, 13) Show SMILES Cn1ccc(Nc2cc(-c3ccccc3)c3c(c[nH]c3n2)C#N)n1 Show InChI InChI=1S/C18H14N6/c1-24-8-7-15(23-24)21-16-9-14(12-5-3-2-4-6-12)17-13(10-19)11-20-18(17)22-16/h2-9,11H,1H3,(H2,20,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd. Curated by ChEMBL					Assay Description Inhibition of human LRRK2 G2019S mutant phosphorylation at ser935 expressed in BacMam transduced HEK293 cells after 48 hrs by in-cell Western assay				J Med Chem 60: 8945-8962 (2017) Article DOI: 10.1021/acs.jmedchem.7b01186 BindingDB Entry DOI: 10.7270/Q2BR8VMR
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [970-2527] (Homo sapiens (Human))	BDBM254930 (US9499542, 13 | US9675594, 13) Show SMILES Cn1ccc(Nc2cc(-c3ccccc3)c3c(c[nH]c3n2)C#N)n1 Show InChI InChI=1S/C18H14N6/c1-24-8-7-15(23-24)21-16-9-14(12-5-3-2-4-6-12)17-13(10-19)11-20-18(17)22-16/h2-9,11H,1H3,(H2,20,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	48	n/a	n/a	n/a	n/a
NMMLSC US Patent					Assay Description In the assay, 1 nM LRRK2 WT or 250 pM LRRK2 G2019S kinase is incubated with the test compound (typically at 0 to 30 μM) for 30 minutes before th...				US Patent US9675594 (2017) BindingDB Entry DOI: 10.7270/Q2ZC8110
					More data for this Ligand-Target Pair