Compile Data Set for Download or QSAR

Found 231 hits Enz. Inhib. hit(s) with all data for entry = 11153   

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))	BDBM384427 (US10590114, No. 122 | US11111235, Compound 122 | U...) Show SMILES CNc1nc(Nc2cn(nc2C2CC2)C2(C)CCOC2=O)ncc1C(F)(F)F Show InChI InChI=1S/C17H19F3N6O2/c1-16(5-6-28-14(16)27)26-8-11(12(25-26)9-3-4-9)23-15-22-7-10(17(18,19)20)13(21-2)24-15/h7-9H,3-6H2,1-2H3,(H2,21,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.720	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))	BDBM384405 (US10590114, No. 108 | US11111235, No. 91 | US11591...) Show SMILES CCNc1nc(Nc2cn(nc2C2CC2)C2(C)CCOC2=O)ncc1C(F)(F)F Show InChI InChI=1S/C18H21F3N6O2/c1-3-22-14-11(18(19,20)21)8-23-16(25-14)24-12-9-27(26-13(12)10-4-5-10)17(2)6-7-29-15(17)28/h8-10H,3-7H2,1-2H3,(H2,22,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.960	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))	BDBM384428 (US10590114, No. 115 | US11111235, Compound 114 | U...) Show SMILES CCNc1nc(Nc2cn(nc2C2CC2)C2(C)CCOC2=O)ncc1Br Show InChI InChI=1S/C17H21BrN6O2/c1-3-19-14-11(18)8-20-16(22-14)21-12-9-24(23-13(12)10-4-5-10)17(2)6-7-26-15(17)25/h8-10H,3-7H2,1-2H3,(H2,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.05	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))	BDBM384457 (US10590114, No. 144 | US11111235, Compound 143 | U...) Show SMILES CCNc1nc(Nc2cc(nn2C2CC2)C2(C)CCOC2=O)ncc1C(F)(F)F Show InChI InChI=1S/C18H21F3N6O2/c1-3-22-14-11(18(19,20)21)9-23-16(25-14)24-13-8-12(26-27(13)10-4-5-10)17(2)6-7-29-15(17)28/h8-10H,3-7H2,1-2H3,(H2,22,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.21	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))	BDBM384464 (US10590114, No. 151 | US11111235, Compound 150 | U...) Show SMILES CCNc1nc(Nc2cc(nn2C2CC2)C2(C)CCOC2=O)ncc1Br Show InChI InChI=1S/C17H21BrN6O2/c1-3-19-14-11(18)9-20-16(22-14)21-13-8-12(23-24(13)10-4-5-10)17(2)6-7-26-15(17)25/h8-10H,3-7H2,1-2H3,(H2,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.22	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))	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	1.47	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))	BDBM384432 (US10590114, No. 118 | US11111235, Compound 118 | U...) Show SMILES CCNc1nc(Nc2cn(nc2C2CC2)C(C)(C)C#N)ncc1C(F)(F)F Show InChI InChI=1S/C17H20F3N7/c1-4-22-14-11(17(18,19)20)7-23-15(25-14)24-12-8-27(16(2,3)9-21)26-13(12)10-5-6-10/h7-8,10H,4-6H2,1-3H3,(H2,22,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.55	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))	BDBM384432 (US10590114, No. 118 | US11111235, Compound 118 | U...) Show SMILES CCNc1nc(Nc2cn(nc2C2CC2)C(C)(C)C#N)ncc1C(F)(F)F Show InChI InChI=1S/C17H20F3N7/c1-4-22-14-11(17(18,19)20)7-23-15(25-14)24-12-8-27(16(2,3)9-21)26-13(12)10-5-6-10/h7-8,10H,4-6H2,1-3H3,(H2,22,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.55	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))	BDBM384407 (US10590114, No. 93 | US11111235, No. 93 | US115913...) Show SMILES CCNc1nc(Nc2cn(nc2C2CC2)C(C)(C)C#N)ncc1Br Show InChI InChI=1S/C16H20BrN7/c1-4-19-14-11(17)7-20-15(22-14)21-12-8-24(16(2,3)9-18)23-13(12)10-5-6-10/h7-8,10H,4-6H2,1-3H3,(H2,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.87	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))	BDBM384469 (US10590114, No. 156 | US11111235, Compound 155 | U...) Show SMILES CNc1nc(Nc2cc(nn2C2CC2)C2(C)CCOC2=O)ncc1C(F)(F)F Show InChI InChI=1S/C17H19F3N6O2/c1-16(5-6-28-14(16)27)11-7-12(26(25-11)9-3-4-9)23-15-22-8-10(17(18,19)20)13(21-2)24-15/h7-9H,3-6H2,1-2H3,(H2,21,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.95	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))	BDBM384382 (US10590114, No. 71 | US11111235, No. 69 | US115913...) Show SMILES Cn1nc(cc1Nc1ncc(c(NC2CC2)n1)C(F)(F)F)C(C)(C)n1nccn1 Show InChI InChI=1S/C17H20F3N9/c1-16(2,29-22-6-7-23-29)12-8-13(28(3)27-12)25-15-21-9-11(17(18,19)20)14(26-15)24-10-4-5-10/h6-10H,4-5H2,1-3H3,(H2,21,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.23	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))	BDBM384347 (BDBM384370 | US10590114, No. 70 | US11111235, No. ...) Show SMILES CCNc1nc(Nc2cc(nn2C)C(C)(C)n2nccn2)ncc1C(F)(F)F Show InChI InChI=1S/C16H20F3N9/c1-5-20-13-10(16(17,18)19)9-21-14(25-13)24-12-8-11(26-27(12)4)15(2,3)28-22-6-7-23-28/h6-9H,5H2,1-4H3,(H2,20,21,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.31	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))	BDBM384330 (US10590114, No. 27 | US11111235, No. 27 | US115913...) Show SMILES CCNc1nc(Nc2cnn(C3C[C@@H](C3)C#N)c2C)ncc1C(F)(F)F |r,wU:13.15,(5.42,.28,;4.09,1.05,;4.09,2.59,;2.75,3.36,;1.42,2.59,;.08,3.36,;-1.25,2.59,;-1.25,1.05,;-0,.14,;-.48,-1.32,;-2.02,-1.32,;-2.79,-2.65,;-4.28,-3.05,;-3.88,-4.54,;-2.39,-4.14,;-4.65,-5.87,;-5.42,-7.21,;-2.5,.14,;-3.98,.54,;.08,4.9,;1.42,5.67,;2.75,4.9,;4.09,5.67,;5.42,4.9,;4.09,7.21,;5.42,6.44,)| Show InChI InChI=1S/C16H18F3N7/c1-3-21-14-12(16(17,18)19)7-22-15(25-14)24-13-8-23-26(9(13)2)11-4-10(5-11)6-20/h7-8,10-11H,3-5H2,1-2H3,(H2,21,22,24,25)/t10-,11?	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.41	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))	BDBM384392 (US10590114, No. 78 | US11111235, No. 78 | US115913...) Show SMILES CCNc1nc(Nc2cc(nn2C2CC2)C(C)(C)n2nccn2)ncc1C(F)(F)F Show InChI InChI=1S/C18H22F3N9/c1-4-22-15-12(18(19,20)21)10-23-16(27-15)26-14-9-13(28-29(14)11-5-6-11)17(2,3)30-24-7-8-25-30/h7-11H,4-6H2,1-3H3,(H2,22,23,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.69	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))	BDBM384455 (US10590114, No. 141 | US11111235, Compound 141 | U...) Show SMILES CCNc1nc(Nc2cc(nn2C2CC2)C(C)(C)C#N)ncc1Br Show InChI InChI=1S/C16H20BrN7/c1-4-19-14-11(17)8-20-15(22-14)21-13-7-12(16(2,3)9-18)23-24(13)10-5-6-10/h7-8,10H,4-6H2,1-3H3,(H2,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.94	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))	BDBM384310 (US10590114, No. 14 | US11111235, No. 14 | US115913...) Show SMILES CNc1nc(Nc2cn(nc2C)C(C)(C)c2ncn(C)n2)ncc1C(F)(F)F Show InChI InChI=1S/C16H20F3N9/c1-9-11(7-28(25-9)15(2,3)13-22-8-27(5)26-13)23-14-21-6-10(16(17,18)19)12(20-4)24-14/h6-8H,1-5H3,(H2,20,21,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.91	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))	BDBM384287 (US10590114, No. 1 | US11111235, No. 1 | US11591316...) Show SMILES CNc1nc(Nc2cnn(C3CC4CCC(C3)N4C)c2C)ncc1C(F)(F)F |TLB:18:17:13.14:11.16.10,THB:9:10:17:13.14| Show InChI InChI=1S/C18H24F3N7/c1-10-15(25-17-23-8-14(18(19,20)21)16(22-2)26-17)9-24-28(10)13-6-11-4-5-12(7-13)27(11)3/h8-9,11-13H,4-7H2,1-3H3,(H2,22,23,25,26)	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))	BDBM436211 (US10590114, No. 3 | US11111235, No. 3 | US11591316...) Show SMILES CNc1nc(Nc2cn(nc2C)C2C[C@@H]3C[C@@H]3C2)ncc1C(F)(F)F |r| Show InChI InChI=1S/C16H19F3N6/c1-8-13(7-25(24-8)11-4-9-3-10(9)5-11)22-15-21-6-12(16(17,18)19)14(20-2)23-15/h6-7,9-11H,3-5H2,1-2H3,(H2,20,21,22,23)/t9-,10+,11?	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))	BDBM436212 (US10590114, No. 4 | US11111235, No. 4 | US11591316...) Show SMILES CNc1nc(Nc2cnn(C3C[C@@H]4C[C@@H]4C3)c2C)ncc1C(F)(F)F |r| Show InChI InChI=1S/C16H19F3N6/c1-8-13(7-22-25(8)11-4-9-3-10(9)5-11)23-15-21-6-12(16(17,18)19)14(20-2)24-15/h6-7,9-11H,3-5H2,1-2H3,(H2,20,21,23,24)/t9-,10+,11?	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))	BDBM384294 (US10590114, No. 5 | US11111235, No. 5 | US11591316...) Show SMILES Cc1nn(cc1Nc1ncc(c(NC2C3CC2C3)n1)C(F)(F)F)C(C)(C)C#N |(-4.47,-1.87,;-2.93,-1.87,;-2.02,-3.12,;-.56,-2.64,;-.56,-1.1,;-2.02,-.63,;-2.42,.86,;-1.33,1.95,;-1.73,3.44,;-.64,4.53,;.85,4.13,;1.25,2.64,;2.73,2.24,;3.13,.76,;2.36,-.58,;3.7,-1.35,;4.47,-.01,;3.58,-.9,;.16,1.55,;1.94,5.22,;3.42,4.82,;1.54,6.71,;3.03,6.31,;.53,-3.73,;2.02,-4.13,;1.62,-2.64,;.13,-5.22,;-.26,-6.71,)| Show InChI InChI=1S/C18H20F3N7/c1-9-13(7-28(27-9)17(2,3)8-22)24-16-23-6-12(18(19,20)21)15(26-16)25-14-10-4-11(14)5-10/h6-7,10-11,14H,4-5H2,1-3H3,(H2,23,24,25,26)	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))	BDBM384297 (US10590114, No. 7 | US11111235, No. 7 | US11591316...) Show SMILES CNc1nc(Nc2cnn(CC34CC(C3)(C4)C#N)c2C)ncc1C(F)(F)F Show InChI InChI=1S/C17H18F3N7/c1-10-12(4-24-27(10)9-16-5-15(6-16,7-16)8-21)25-14-23-3-11(17(18,19)20)13(22-2)26-14/h3-4H,5-7,9H2,1-2H3,(H2,22,23,25,26)	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))	BDBM384299 (US10590114, No. 8 | US11111235, No. 8 | US11591316...) Show SMILES CNc1nc(Nc2cnn3CC4(CC4)Cc23)ncc1C(F)(F)F Show InChI InChI=1S/C14H15F3N6/c1-18-11-8(14(15,16)17)5-19-12(22-11)21-9-6-20-23-7-13(2-3-13)4-10(9)23/h5-6H,2-4,7H2,1H3,(H2,18,19,21,22)	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))	BDBM436217 (US10590114, No. 9 | US11111235, No. 9 | US11591316...) Show SMILES CNc1nc(Nc2cnn(C3C[C@H]4[C@@H](C3)C4(F)F)c2Cl)ncc1C(F)(F)F |r| Show InChI InChI=1S/C15H14ClF5N6/c1-22-12-9(15(19,20)21)4-23-13(26-12)25-10-5-24-27(11(10)16)6-2-7-8(3-6)14(7,17)18/h4-8H,2-3H2,1H3,(H2,22,23,25,26)/t6?,7-,8+	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))	BDBM384307 (US11591316, Compound 11 | US9932325, Example 11) Show SMILES CNc1nc(Nc2cnn(C3CC4[C@H](C3)C4(F)F)c2C)ncc1C(F)(F)F |r| Show InChI InChI=1S/C16H17F5N6/c1-7-12(6-24-27(7)8-3-9-10(4-8)15(9,17)18)25-14-23-5-11(16(19,20)21)13(22-2)26-14/h5-6,8-10H,3-4H2,1-2H3,(H2,22,23,25,26)/t8?,9-,10?/m0/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))	BDBM384308 (US11591316, Compound 12 | US9932325, Example 12) Show SMILES CNc1nc(Nc2cn(nc2C)C2CC3[C@H](C2)C3(F)F)ncc1C(F)(F)F |r| Show InChI InChI=1S/C16H17F5N6/c1-7-12(6-27(26-7)8-3-9-10(4-8)15(9,17)18)24-14-23-5-11(16(19,20)21)13(22-2)25-14/h5-6,8-10H,3-4H2,1-2H3,(H2,22,23,24,25)/t8?,9-,10?/m0/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))	BDBM384309 (US10590114, No. 13 | US11111235, No. 13 | US115913...) Show SMILES CNc1nc(Nc2cnn(C3CC4(COC4)C3)c2Cl)ncc1C(F)(F)F Show InChI InChI=1S/C15H16ClF3N6O/c1-20-12-9(15(17,18)19)4-21-13(24-12)23-10-5-22-25(11(10)16)8-2-14(3-8)6-26-7-14/h4-5,8H,2-3,6-7H2,1H3,(H2,20,21,23,24)	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))	BDBM384310 (US10590114, No. 14 | US11111235, No. 14 | US115913...) Show SMILES CNc1nc(Nc2cn(nc2C)C(C)(C)c2ncn(C)n2)ncc1C(F)(F)F Show InChI InChI=1S/C16H20F3N9/c1-9-11(7-28(25-9)15(2,3)13-22-8-27(5)26-13)23-14-21-6-10(16(17,18)19)12(20-4)24-14/h6-8H,1-5H3,(H2,20,21,23,24)	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))	BDBM384311 (US10590114, No. 15 | US11111235, No. 15 | US115913...) Show SMILES CNc1nc(Nc2cn(nc2C)C(C)(C)c2ccn(C)n2)ncc1C(F)(F)F Show InChI InChI=1S/C17H21F3N8/c1-10-12(9-28(25-10)16(2,3)13-6-7-27(5)26-13)23-15-22-8-11(17(18,19)20)14(21-4)24-15/h6-9H,1-5H3,(H2,21,22,23,24)	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))	BDBM384312 (US10590114, No. 16 | US11111235, No. 16 | US115913...) Show SMILES CNc1nc(Nc2cnn3CC4(COC4)Cc23)ncc1C(F)(F)F Show InChI InChI=1S/C14H15F3N6O/c1-18-11-8(14(15,16)17)3-19-12(22-11)21-9-4-20-23-5-13(2-10(9)23)6-24-7-13/h3-4H,2,5-7H2,1H3,(H2,18,19,21,22)	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))	BDBM384314 (US10590114, No. 17 | US11111235, No. 17 | US115913...) Show SMILES CNc1nc(Nc2cnn3CC4(CC4)COc23)ncc1C(F)(F)F Show InChI InChI=1S/C14H15F3N6O/c1-18-10-8(14(15,16)17)4-19-12(22-10)21-9-5-20-23-6-13(2-3-13)7-24-11(9)23/h4-5H,2-3,6-7H2,1H3,(H2,18,19,21,22)	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))	BDBM196756 (US10590114, No. 18 | US11111235, No. 18 | US115913...) Show SMILES CCNc1nc(Nc2cn(nc2C)C(C)(C)c2ccn(C)n2)ncc1C(F)(F)F Show InChI InChI=1S/C18H23F3N8/c1-6-22-15-12(18(19,20)21)9-23-16(25-15)24-13-10-29(26-11(13)2)17(3,4)14-7-8-28(5)27-14/h7-10H,6H2,1-5H3,(H2,22,23,24,25)	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))	BDBM384317 (US10590114, No. 19 | US11111235, No. 19 | US115913...) Show SMILES Cc1nn(cc1Nc1nc2NCC3(CC3)c2c(n1)C1CC1)C(C)(C)C#N Show InChI InChI=1S/C19H23N7/c1-11-13(8-26(25-11)18(2,3)9-20)22-17-23-15(12-4-5-12)14-16(24-17)21-10-19(14)6-7-19/h8,12H,4-7,10H2,1-3H3,(H2,21,22,23,24)	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))	BDBM384318 (US10590114, No. 20 | US11111235, No. 20 | US115913...) Show SMILES CCNc1nc(Nc2cnn3CC4(COC4)Cc23)ncc1C(F)(F)F Show InChI InChI=1S/C15H17F3N6O/c1-2-19-12-9(15(16,17)18)4-20-13(23-12)22-10-5-21-24-6-14(3-11(10)24)7-25-8-14/h4-5H,2-3,6-8H2,1H3,(H2,19,20,22,23)	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))	BDBM384321 (US10590114, No. 21 | US11111235, No. 21 | US115913...) Show SMILES Cc1c(Nc2ncc(c(NC3CC3)n2)C(F)(F)F)cnn1C1C[C@@H](C1)C#N |r,wU:23.28,(-3.98,.54,;-2.5,.14,;-1.25,1.05,;-1.25,2.59,;.08,3.36,;.08,4.9,;1.42,5.67,;2.75,4.9,;2.75,3.36,;4.09,2.59,;4.09,1.05,;3.32,-.29,;4.86,-.29,;1.42,2.59,;4.09,5.67,;5.42,4.9,;4.09,7.21,;5.42,6.44,;-0,.14,;-.48,-1.32,;-2.02,-1.32,;-2.79,-2.65,;-4.28,-3.05,;-3.88,-4.54,;-2.39,-4.14,;-4.65,-5.87,;-5.42,-7.21,)| Show InChI InChI=1S/C17H18F3N7/c1-9-14(8-23-27(9)12-4-10(5-12)6-21)25-16-22-7-13(17(18,19)20)15(26-16)24-11-2-3-11/h7-8,10-12H,2-5H2,1H3,(H2,22,24,25,26)/t10-,12?	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))	BDBM384323 (US10590114, No. 24 | US11111235, No. 24 | US115913...) Show SMILES CCNc1nc(Nc2cn(nc2C)C2(C)CCN(C)C2=O)ncc1C(F)(F)F Show InChI InChI=1S/C17H22F3N7O/c1-5-21-13-11(17(18,19)20)8-22-15(24-13)23-12-9-27(25-10(12)2)16(3)6-7-26(4)14(16)28/h8-9H,5-7H2,1-4H3,(H2,21,22,23,24)	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))	BDBM384323 (US10590114, No. 24 | US11111235, No. 24 | US115913...) Show SMILES CCNc1nc(Nc2cn(nc2C)C2(C)CCN(C)C2=O)ncc1C(F)(F)F Show InChI InChI=1S/C17H22F3N7O/c1-5-21-13-11(17(18,19)20)8-22-15(24-13)23-12-9-27(25-10(12)2)16(3)6-7-26(4)14(16)28/h8-9H,5-7H2,1-4H3,(H2,21,22,23,24)	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))	BDBM384323 (US10590114, No. 24 | US11111235, No. 24 | US115913...) Show SMILES CCNc1nc(Nc2cn(nc2C)C2(C)CCN(C)C2=O)ncc1C(F)(F)F Show InChI InChI=1S/C17H22F3N7O/c1-5-21-13-11(17(18,19)20)8-22-15(24-13)23-12-9-27(25-10(12)2)16(3)6-7-26(4)14(16)28/h8-9H,5-7H2,1-4H3,(H2,21,22,23,24)	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))	BDBM384328 (US10590114, No. 25 | US11111235, No. 25 | US115913...) Show SMILES CCNc1nc(Nc2cn(nc2C)C2CCN(C)C2=O)ncc1C(F)(F)F Show InChI InChI=1S/C16H20F3N7O/c1-4-20-13-10(16(17,18)19)7-21-15(23-13)22-11-8-26(24-9(11)2)12-5-6-25(3)14(12)27/h7-8,12H,4-6H2,1-3H3,(H2,20,21,22,23)	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))	BDBM384330 (US10590114, No. 27 | US11111235, No. 27 | US115913...) Show SMILES CCNc1nc(Nc2cnn(C3C[C@@H](C3)C#N)c2C)ncc1C(F)(F)F |r,wU:13.15,(5.42,.28,;4.09,1.05,;4.09,2.59,;2.75,3.36,;1.42,2.59,;.08,3.36,;-1.25,2.59,;-1.25,1.05,;-0,.14,;-.48,-1.32,;-2.02,-1.32,;-2.79,-2.65,;-4.28,-3.05,;-3.88,-4.54,;-2.39,-4.14,;-4.65,-5.87,;-5.42,-7.21,;-2.5,.14,;-3.98,.54,;.08,4.9,;1.42,5.67,;2.75,4.9,;4.09,5.67,;5.42,4.9,;4.09,7.21,;5.42,6.44,)| Show InChI InChI=1S/C16H18F3N7/c1-3-21-14-12(16(17,18)19)7-22-15(25-14)24-13-8-23-26(9(13)2)11-4-10(5-11)6-20/h7-8,10-11H,3-5H2,1-2H3,(H2,21,22,24,25)/t10-,11?	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))	BDBM384330 (US10590114, No. 27 | US11111235, No. 27 | US115913...) Show SMILES CCNc1nc(Nc2cnn(C3C[C@@H](C3)C#N)c2C)ncc1C(F)(F)F |r,wU:13.15,(5.42,.28,;4.09,1.05,;4.09,2.59,;2.75,3.36,;1.42,2.59,;.08,3.36,;-1.25,2.59,;-1.25,1.05,;-0,.14,;-.48,-1.32,;-2.02,-1.32,;-2.79,-2.65,;-4.28,-3.05,;-3.88,-4.54,;-2.39,-4.14,;-4.65,-5.87,;-5.42,-7.21,;-2.5,.14,;-3.98,.54,;.08,4.9,;1.42,5.67,;2.75,4.9,;4.09,5.67,;5.42,4.9,;4.09,7.21,;5.42,6.44,)| Show InChI InChI=1S/C16H18F3N7/c1-3-21-14-12(16(17,18)19)7-22-15(25-14)24-13-8-23-26(9(13)2)11-4-10(5-11)6-20/h7-8,10-11H,3-5H2,1-2H3,(H2,21,22,24,25)/t10-,11?	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))	BDBM384334 (US10590114, No. 29 | US11111235, No. 29 | US115913...) Show SMILES CNc1nc(Nc2cnn(C3CN(CCC3(F)F)C3COC3)c2Cl)ncc1C(F)(F)F Show InChI InChI=1S/C17H19ClF5N7O/c1-24-14-10(17(21,22)23)4-25-15(28-14)27-11-5-26-30(13(11)18)12-6-29(9-7-31-8-9)3-2-16(12,19)20/h4-5,9,12H,2-3,6-8H2,1H3,(H2,24,25,27,28)	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
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))	BDBM384334 (US10590114, No. 29 | US11111235, No. 29 | US115913...) Show SMILES CNc1nc(Nc2cnn(C3CN(CCC3(F)F)C3COC3)c2Cl)ncc1C(F)(F)F Show InChI InChI=1S/C17H19ClF5N7O/c1-24-14-10(17(21,22)23)4-25-15(28-14)27-11-5-26-30(13(11)18)12-6-29(9-7-31-8-9)3-2-16(12,19)20/h4-5,9,12H,2-3,6-8H2,1H3,(H2,24,25,27,28)	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
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))	BDBM384343 (US10590114, No. 58 | US11111235, No. 32 | US115913...) Show SMILES CCNc1nc(Nc2cnn(C3CCC3)c2C#N)ncc1C(F)(F)F Show InChI InChI=1S/C15H16F3N7/c1-2-20-13-10(15(16,17)18)7-21-14(24-13)23-11-8-22-25(12(11)6-19)9-4-3-5-9/h7-9H,2-5H2,1H3,(H2,20,21,23,24)	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))	BDBM384346 (US10590114, No. 33 | US11111235, No. 33 | US115913...) Show SMILES COc1nc(Nc2cn(nc2C)C(C)(C)c2ncn(C)n2)ncc1Br Show InChI InChI=1S/C15H19BrN8O/c1-9-11(19-14-17-6-10(16)12(20-14)25-5)7-24(21-9)15(2,3)13-18-8-23(4)22-13/h6-8H,1-5H3,(H,17,19,20)	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))	BDBM384347 (BDBM384370 | US10590114, No. 70 | US11111235, No. ...) Show SMILES CCNc1nc(Nc2cc(nn2C)C(C)(C)n2nccn2)ncc1C(F)(F)F Show InChI InChI=1S/C16H20F3N9/c1-5-20-13-10(16(17,18)19)9-21-14(25-13)24-12-8-11(26-27(12)4)15(2,3)28-22-6-7-23-28/h6-9H,5H2,1-4H3,(H2,20,21,24,25)	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))	BDBM384349 (US10590114, No. 35A | US11111235, No. 35A | US1159...) Show SMILES CCNc1nc(Nc2cn(nc2C)[C@H]2C[C@@H](C2)C#N)ncc1C(F)(F)F |r,wU:15.18,wD:13.13,(4.7,.38,;3.37,1.15,;3.37,2.69,;2.03,3.46,;.7,2.69,;-.63,3.46,;-1.97,2.69,;-1.97,1.15,;-.72,.25,;-1.2,-1.22,;-2.74,-1.22,;-3.21,.25,;-4.7,.65,;-.43,-2.55,;-.83,-4.04,;.67,-4.46,;1.06,-2.95,;1.44,-5.79,;2.21,-7.13,;-.63,5,;.7,5.77,;2.08,5.03,;3.42,5.8,;4.75,6.57,;2.65,7.13,;4.19,4.47,)| Show InChI InChI=1S/C16H18F3N7/c1-3-21-14-12(16(17,18)19)7-22-15(24-14)23-13-8-26(25-9(13)2)11-4-10(5-11)6-20/h7-8,10-11H,3-5H2,1-2H3,(H2,21,22,23,24)/t10-,11-	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))	BDBM384350 (US10590114, No. 35B | US11111235, No. 35B | US1159...) Show SMILES CCNc1nc(Nc2cn(nc2C)[C@@H]2C[C@@H](C2)C#N)ncc1C(F)(F)F |r,wD:13.13,15.18,(4.7,.38,;3.37,1.15,;3.37,2.69,;2.03,3.46,;.7,2.69,;-.63,3.46,;-1.97,2.69,;-1.97,1.15,;-.72,.25,;-1.2,-1.22,;-2.74,-1.22,;-3.21,.25,;-4.7,.65,;-.43,-2.55,;1.06,-2.95,;.67,-4.46,;-.83,-4.04,;1.44,-5.79,;2.21,-7.13,;-.63,5,;.7,5.77,;2.08,5.03,;3.42,5.8,;4.75,6.57,;2.65,7.13,;4.19,4.47,)| Show InChI InChI=1S/C16H18F3N7/c1-3-21-14-12(16(17,18)19)7-22-15(24-14)23-13-8-26(25-9(13)2)11-4-10(5-11)6-20/h7-8,10-11H,3-5H2,1-2H3,(H2,21,22,23,24)/t10-,11+	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))	BDBM384352 (US10590114, No. 37 | US11111235, No. 37 | US115913...) Show SMILES COc1nc(Nc2cnn(C3CCC3)c2C#N)ncc1Br Show InChI InChI=1S/C13H13BrN6O/c1-21-12-9(14)6-16-13(19-12)18-10-7-17-20(11(10)5-15)8-3-2-4-8/h6-8H,2-4H2,1H3,(H,16,18,19)	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))	BDBM384355 (BDBM384364 | US10590114, No. 48 | US11111235, No. ...) Show SMILES Cc1nn(cc1Nc1ncc(c(NC2CC2)n1)C(F)(F)F)C(C)(C)C#N Show InChI InChI=1S/C16H18F3N7/c1-9-12(7-26(25-9)15(2,3)8-20)23-14-21-6-11(16(17,18)19)13(24-14)22-10-4-5-10/h6-7,10H,4-5H2,1-3H3,(H2,21,22,23,24)	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))	BDBM384356 (US10590114, No. 39A | US11111235, No. 39A | US1159...) Show SMILES Cc1nn(cc1Nc1ncc(c(N[C@H]2C[C@H]2F)n1)C(F)(F)F)C(C)(C)C#N |r| Show InChI InChI=1S/C16H17F4N7/c1-8-12(6-27(26-8)15(2,3)7-21)24-14-22-5-9(16(18,19)20)13(25-14)23-11-4-10(11)17/h5-6,10-11H,4H2,1-3H3,(H2,22,23,24,25)/t10-,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

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