BindingDB PrimarySearch

BDBM482157 BDBM50379529::LRRK2-IN-1

SMILES: COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1

InChI Key: InChIKey=IWMCPJZTADUIFX-UHFFFAOYSA-N

Data: 12 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 482157
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2) (Homo sapiens (Human))	BDBM482157 (BDBM50379529 \| LRRK2-IN-1) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of recombinant LRRK2 (unknown origin) using gamma-32P-ATP assessed as LRRKtide substrate phosphorylation level by autoradiography				Bioorg Med Chem Lett 24: 4630-7 (2014) Article DOI: 10.1016/j.bmcl.2014.08.049 BindingDB Entry DOI: 10.7270/Q2DB83GB
Technische Universit£t Darmstadt Curated by ChEMBL					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2) (Homo sapiens (Human))	BDBM482157 (BDBM50379529 \| LRRK2-IN-1) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Inhibition of wild-type GST-tagged LRRK2 (1326 to 2527 aa)(unknown origin) stably expressed in HEK293 cell lysate using [gamma-32P] after 15 mins by ...				Eur J Med Chem 95: 29-34 (2015) Article DOI: 10.1016/j.ejmech.2015.03.003 BindingDB Entry DOI: 10.7270/Q2TH8PDX
University of Sydney Curated by ChEMBL					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2) (Homo sapiens (Human))	BDBM482157 (BDBM50379529 \| LRRK2-IN-1) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Inhibition of LRRK2 G2019S mutant (1326 to 252 aa) (unknown origin) stably expressed in HEK293 cell lysate using [gamma-32P] after 15 mins by Cerenko...				Eur J Med Chem 95: 29-34 (2015) Article DOI: 10.1016/j.ejmech.2015.03.003 BindingDB Entry DOI: 10.7270/Q2TH8PDX
University of Sydney Curated by ChEMBL					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2) (Homo sapiens (Human))	BDBM482157 (BDBM50379529 \| LRRK2-IN-1) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of LRRK2 (unknown origin)				J Med Chem 58: 6733-46 (2015) BindingDB Entry DOI: 10.7270/Q20K2BC9
Genentech Curated by ChEMBL					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2) (Homo sapiens (Human))	BDBM482157 (BDBM50379529 \| LRRK2-IN-1) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Inhibition of wild type GST-tagged LRRK2 ((1326 to 2517 amino acids) (unknown origin)				Bioorg Med Chem Lett 23: 3690-6 (2013) Article DOI: 10.1016/j.bmcl.2013.04.086 BindingDB Entry DOI: 10.7270/Q27P90SD
The University of Sydney Curated by ChEMBL					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2) (Homo sapiens (Human))	BDBM482157 (BDBM50379529 \| LRRK2-IN-1) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of wild-type LRRK2 expressed in HEK293 cells using nictide and [gamma32]ATP as substrate				Bioorg Med Chem Lett 22: 1864-9 (2012) Article DOI: 10.1016/j.bmcl.2012.01.084 BindingDB Entry DOI: 10.7270/Q2VX0HHM
University of Dundee Curated by ChEMBL					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM482157 (BDBM50379529 \| LRRK2-IN-1) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2) (Homo sapiens (Human))	BDBM482157 (BDBM50379529 \| LRRK2-IN-1) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC Curated by ChEMBL					Assay Description Inhibition of recombinant catalytic human GST-tagged LLRK2 G2019S mutant (970 to 2527 residues) expressed in baculovirus expression system using LRRK...				Eur J Med Chem 138: 328-342 (2017) Article DOI: 10.1016/j.ejmech.2017.06.060 BindingDB Entry DOI: 10.7270/Q2V40XTP
					More data for this Ligand-Target Pair
GST-LRRK2 (aa 1326-2527,A2016T,G2019S) (Homo sapiens (Human))	BDBM482157 (BDBM50379529 \| LRRK2-IN-1) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	3.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
DANA-FARBER CANCER INSTITUTE, INC. US Patent					Assay Description Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...				US Patent US10913744 (2021)
DANA-FARBER CANCER INSTITUTE, INC. US Patent					More data for this Ligand-Target Pair
GST-LRRK2 (aa 1326-2527,G2019S) (Homo sapiens (Human))	BDBM482157 (BDBM50379529 \| LRRK2-IN-1) Show SMILES Show InChI	PDB GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
DANA-FARBER CANCER INSTITUTE, INC. US Patent					Assay Description Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...				US Patent US10913744 (2021)
DANA-FARBER CANCER INSTITUTE, INC. US Patent					More data for this Ligand-Target Pair
GST-LRRK2 (aa 1326-2527,A2016T) (Homo sapiens (Human))	BDBM482157 (BDBM50379529 \| LRRK2-IN-1) Show SMILES Show InChI	PDB MMDB GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	2.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
DANA-FARBER CANCER INSTITUTE, INC. US Patent					Assay Description Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...				US Patent US10913744 (2021)
DANA-FARBER CANCER INSTITUTE, INC. US Patent					More data for this Ligand-Target Pair
GST-LRRK2 (aa 1326-2527) (Homo sapiens (Human))	BDBM482157 (BDBM50379529 \| LRRK2-IN-1) Show SMILES Show InChI	PDB GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
DANA-FARBER CANCER INSTITUTE, INC. US Patent					Assay Description Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...				US Patent US10913744 (2021)
DANA-FARBER CANCER INSTITUTE, INC. US Patent					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2) (Homo sapiens (Human))	BDBM482157 (BDBM50379529 \| LRRK2-IN-1) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC Curated by ChEMBL					Assay Description Inhibition of recombinant catalytic human GST-tagged LLRK2 (970 to 2527 residues) expressed in baculovirus expression system using LRRKtide as substr...				Eur J Med Chem 138: 328-342 (2017) Article DOI: 10.1016/j.ejmech.2017.06.060 BindingDB Entry DOI: 10.7270/Q2V40XTP
					More data for this Ligand-Target Pair