BDBM50059290 CHEMBL3393448::US9156845, 110

SMILES: Cc1noc(n1)C1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12

InChI Key: InChIKey=YSXZVUXTUVKHPF-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50059290   

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))	BDBM50059290 (CHEMBL3393448 | US9156845, 110) Show SMILES Cc1noc(n1)C1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12 Show InChI InChI=1S/C20H17N7O2/c1-12-25-20(29-26-12)16-10-27(5-6-28-16)19-17-15(9-22-18(17)23-11-24-19)14-4-2-3-13(7-14)8-21/h2-4,7,9,11,16H,5-6,10H2,1H3,(H,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20	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))	BDBM50059290 (CHEMBL3393448 | US9156845, 110) Show SMILES Cc1noc(n1)C1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12 Show InChI InChI=1S/C20H17N7O2/c1-12-25-20(29-26-12)16-10-27(5-6-28-16)19-17-15(9-22-18(17)23-11-24-19)14-4-2-3-13(7-14)8-21/h2-4,7,9,11,16H,5-6,10H2,1H3,(H,22,23,24)	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	176	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))	BDBM50059290 (CHEMBL3393448 | US9156845, 110) Show SMILES Cc1noc(n1)C1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12 Show InChI InChI=1S/C20H17N7O2/c1-12-25-20(29-26-12)16-10-27(5-6-28-16)19-17-15(9-22-18(17)23-11-24-19)14-4-2-3-13(7-14)8-21/h2-4,7,9,11,16H,5-6,10H2,1H3,(H,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	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
Serine/threonine-protein kinase MST2 (Homo sapiens (Human))	BDBM50059290 (CHEMBL3393448 | US9156845, 110) Show SMILES Cc1noc(n1)C1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12 Show InChI InChI=1S/C20H17N7O2/c1-12-25-20(29-26-12)16-10-27(5-6-28-16)19-17-15(9-22-18(17)23-11-24-19)14-4-2-3-13(7-14)8-21/h2-4,7,9,11,16H,5-6,10H2,1H3,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant MST2 using Ser/Thr peptide 7 substrate after 45 mins by Z-Lyte assay				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))	BDBM50059290 (CHEMBL3393448 | US9156845, 110) Show SMILES Cc1noc(n1)C1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12 Show InChI InChI=1S/C20H17N7O2/c1-12-25-20(29-26-12)16-10-27(5-6-28-16)19-17-15(9-22-18(17)23-11-24-19)14-4-2-3-13(7-14)8-21/h2-4,7,9,11,16H,5-6,10H2,1H3,(H,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	390	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
Serine/threonine-protein kinase MST4 (Homo sapiens (Human))	BDBM50059290 (CHEMBL3393448 | US9156845, 110) Show SMILES Cc1noc(n1)C1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12 Show InChI InChI=1S/C20H17N7O2/c1-12-25-20(29-26-12)16-10-27(5-6-28-16)19-17-15(9-22-18(17)23-11-24-19)14-4-2-3-13(7-14)8-21/h2-4,7,9,11,16H,5-6,10H2,1H3,(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant MST4 using Ser/Thr peptide 7 substrate after 60 mins by Z-Lyte assay				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