Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 410.4 BDBM522401

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

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 [G2019S] (Homo sapiens (Human))	BDBM522401 (2-(4,4-difluorocyclohexyl)-1-[(2R,4R)-2-methyltetr...) Show SMILES C[C@@H]1CC(CCO1)n1c(nc2cnc3ccc(cc3c12)C#N)C1CCC(F)(F)CC1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat #PV4874) was incub...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z89GMB
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM522401 (2-(4,4-difluorocyclohexyl)-1-[(2R,4R)-2-methyltetr...) Show SMILES C[C@@H]1CC(CCO1)n1c(nc2cnc3ccc(cc3c12)C#N)C1CCC(F)(F)CC1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15.6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat #PV4874) was incub...				Citation and Details BindingDB Entry DOI: 10.7270/Q2Z89GMB
					More data for this Ligand-Target Pair