Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 377.3 BDBM384466

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

Found 4 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))	BDBM384466 (US10590114, No. 152 | US11111235, No. 152 | US1159...) Show SMILES CCNc1nc(Nc2cc(nn2C2CC2)[C@H]2C[C@@H]2C#N)ncc1C(F)(F)F |r| Show InChI InChI=1S/C17H18F3N7/c1-2-22-15-12(17(18,19)20)8-23-16(25-15)24-14-6-13(11-5-9(11)7-21)26-27(14)10-3-4-10/h6,8-11H,2-5H2,1H3,(H2,22,23,24,25)/t9-,11+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<30	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...				Bioorg Med Chem Lett 18: 2567-73 (2008) BindingDB Entry DOI: 10.7270/Q29G5Q4M
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S] (Homo sapiens (Human))	BDBM384466 (US10590114, No. 152 | US11111235, No. 152 | US1159...) Show SMILES CCNc1nc(Nc2cc(nn2C2CC2)[C@H]2C[C@@H]2C#N)ncc1C(F)(F)F |r| Show InChI InChI=1S/C17H18F3N7/c1-2-22-15-12(17(18,19)20)8-23-16(25-15)24-14-6-13(11-5-9(11)7-21)26-27(14)10-3-4-10/h6,8-11H,2-5H2,1H3,(H2,22,23,24,25)/t9-,11+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were prepared by initially diluting to 1 mM with DMSO. 35 μL of reference compound solution, 35 μL of test compound solution, and...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SJ1QJH
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S] (Homo sapiens (Human))	BDBM384466 (US10590114, No. 152 | US11111235, No. 152 | US1159...) Show SMILES CCNc1nc(Nc2cc(nn2C2CC2)[C@H]2C[C@@H]2C#N)ncc1C(F)(F)F |r| Show InChI InChI=1S/C17H18F3N7/c1-2-22-15-12(17(18,19)20)8-23-16(25-15)24-14-6-13(11-5-9(11)7-21)26-27(14)10-3-4-10/h6,8-11H,2-5H2,1H3,(H2,22,23,24,25)/t9-,11+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Materials:LRRK2 G2019S enzymeSubstrate (LRRKtide)ATPTR-FRET dilution bufferpLRRKtide antibody384-well assay plateDMSOEnzyme Reaction Conditions50 mM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P84G2S
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM384466 (US10590114, No. 152 | US11111235, No. 152 | US1159...) Show SMILES CCNc1nc(Nc2cc(nn2C2CC2)[C@H]2C[C@@H]2C#N)ncc1C(F)(F)F |r| Show InChI InChI=1S/C17H18F3N7/c1-2-22-15-12(17(18,19)20)8-23-16(25-15)24-14-6-13(11-5-9(11)7-21)26-27(14)10-3-4-10/h6,8-11H,2-5H2,1H3,(H2,22,23,24,25)/t9-,11+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<30	n/a	n/a	n/a	n/a	n/a	n/a
Denali Therapautics Inc. US Patent					Assay Description Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...				US Patent US10590114 (2020) BindingDB Entry DOI: 10.7270/Q2DJ5JNW
					More data for this Ligand-Target Pair