Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Leucine-rich repeat serine/threonine-protein kinase 2' and Ligand = 'BDBM254939'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM254939 (US9499542, 22 | US9675594, 22) Show SMILES Cc1cncc(c1)-c1cc(Nc2ccn(C)n2)nc2[nH]cc(C#N)c12 Show InChI InChI=1S/C18H15N7/c1-11-5-12(9-20-8-11)14-6-16(22-15-3-4-25(2)24-15)23-18-17(14)13(7-19)10-21-18/h3-6,8-10H,1-2H3,(H2,21,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27	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))	BDBM254939 (US9499542, 22 | US9675594, 22) Show SMILES Cc1cncc(c1)-c1cc(Nc2ccn(C)n2)nc2[nH]cc(C#N)c12 Show InChI InChI=1S/C18H15N7/c1-11-5-12(9-20-8-11)14-6-16(22-15-3-4-25(2)24-15)23-18-17(14)13(7-19)10-21-18/h3-6,8-10H,1-2H3,(H2,21,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	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))	BDBM254939 (US9499542, 22 | US9675594, 22) Show SMILES Cc1cncc(c1)-c1cc(Nc2ccn(C)n2)nc2[nH]cc(C#N)c12 Show InChI InChI=1S/C18H15N7/c1-11-5-12(9-20-8-11)14-6-16(22-15-3-4-25(2)24-15)23-18-17(14)13(7-19)10-21-18/h3-6,8-10H,1-2H3,(H2,21,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	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))	BDBM254939 (US9499542, 22 | US9675594, 22) Show SMILES Cc1cncc(c1)-c1cc(Nc2ccn(C)n2)nc2[nH]cc(C#N)c12 Show InChI InChI=1S/C18H15N7/c1-11-5-12(9-20-8-11)14-6-16(22-15-3-4-25(2)24-15)23-18-17(14)13(7-19)10-21-18/h3-6,8-10H,1-2H3,(H2,21,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	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))	BDBM254939 (US9499542, 22 | US9675594, 22) Show SMILES Cc1cncc(c1)-c1cc(Nc2ccn(C)n2)nc2[nH]cc(C#N)c12 Show InChI InChI=1S/C18H15N7/c1-11-5-12(9-20-8-11)14-6-16(22-15-3-4-25(2)24-15)23-18-17(14)13(7-19)10-21-18/h3-6,8-10H,1-2H3,(H2,21,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	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