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SMILES: CCNc1nc(Nc2cc(nn2C2CC2)C2(C)CCn3ncnc23)ncc1C(F)(F)F

InChI Key: InChIKey=APXLOCHNXIPFHK-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 384485   

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 [G2019S] (Homo sapiens (Human))	BDBM384485 (US10590114, No. 172 | US11111235, Compound 172 | U...) Show SMILES CCNc1nc(Nc2cc(nn2C2CC2)C2(C)CCn3ncnc23)ncc1C(F)(F)F Show InChI InChI=1S/C19H22F3N9/c1-3-23-15-12(19(20,21)22)9-24-17(28-15)27-14-8-13(29-31(14)11-4-5-11)18(2)6-7-30-16(18)25-10-26-30/h8-11H,3-7H2,1-2H3,(H2,23,24,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>60	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))	BDBM384485 (US10590114, No. 172 | US11111235, Compound 172 | U...) Show SMILES CCNc1nc(Nc2cc(nn2C2CC2)C2(C)CCn3ncnc23)ncc1C(F)(F)F Show InChI InChI=1S/C19H22F3N9/c1-3-23-15-12(19(20,21)22)9-24-17(28-15)27-14-8-13(29-31(14)11-4-5-11)18(2)6-7-30-16(18)25-10-26-30/h8-11H,3-7H2,1-2H3,(H2,23,24,27,28)	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 (Homo sapiens (Human))	BDBM384485 (US10590114, No. 172 | US11111235, Compound 172 | U...) Show SMILES CCNc1nc(Nc2cc(nn2C2CC2)C2(C)CCn3ncnc23)ncc1C(F)(F)F Show InChI InChI=1S/C19H22F3N9/c1-3-23-15-12(19(20,21)22)9-24-17(28-15)27-14-8-13(29-31(14)11-4-5-11)18(2)6-7-30-16(18)25-10-26-30/h8-11H,3-7H2,1-2H3,(H2,23,24,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>60	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)
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S] (Homo sapiens (Human))	BDBM384485 (US10590114, No. 172 | US11111235, Compound 172 | U...) Show SMILES CCNc1nc(Nc2cc(nn2C2CC2)C2(C)CCn3ncnc23)ncc1C(F)(F)F Show InChI InChI=1S/C19H22F3N9/c1-3-23-15-12(19(20,21)22)9-24-17(28-15)27-14-8-13(29-31(14)11-4-5-11)18(2)6-7-30-16(18)25-10-26-30/h8-11H,3-7H2,1-2H3,(H2,23,24,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.47	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S] (Homo sapiens (Human))	BDBM384485 (US10590114, No. 172 | US11111235, Compound 172 | U...) Show SMILES CCNc1nc(Nc2cc(nn2C2CC2)C2(C)CCn3ncnc23)ncc1C(F)(F)F Show InChI InChI=1S/C19H22F3N9/c1-3-23-15-12(19(20,21)22)9-24-17(28-15)27-14-8-13(29-31(14)11-4-5-11)18(2)6-7-30-16(18)25-10-26-30/h8-11H,3-7H2,1-2H3,(H2,23,24,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	>60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S] (Homo sapiens (Human))	BDBM384485 (US10590114, No. 172 | US11111235, Compound 172 | U...) Show SMILES CCNc1nc(Nc2cc(nn2C2CC2)C2(C)CCn3ncnc23)ncc1C(F)(F)F Show InChI InChI=1S/C19H22F3N9/c1-3-23-15-12(19(20,21)22)9-24-17(28-15)27-14-8-13(29-31(14)11-4-5-11)18(2)6-7-30-16(18)25-10-26-30/h8-11H,3-7H2,1-2H3,(H2,23,24,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM384485 (US10590114, No. 172 | US11111235, Compound 172 | U...) Show SMILES CCNc1nc(Nc2cc(nn2C2CC2)C2(C)CCn3ncnc23)ncc1C(F)(F)F Show InChI InChI=1S/C19H22F3N9/c1-3-23-15-12(19(20,21)22)9-24-17(28-15)27-14-8-13(29-31(14)11-4-5-11)18(2)6-7-30-16(18)25-10-26-30/h8-11H,3-7H2,1-2H3,(H2,23,24,27,28)	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)
					More data for this Ligand-Target Pair