Compile Data Set for Download or QSAR

Found 212 hits with Last Name = 'maglathlin' and Initial = 'r'   

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
Ribosomal protein S6 kinase alpha-3 [399-740] (Homo sapiens (Human))	BDBM259863 (US9505766, 68) Show SMILES CC(C)NS(=O)(=O)C(=C\c1c(-c2ccc(C)cc2)c2c(N)ncnc2n1CCCO)\C#N Show InChI InChI=1S/C22H26N6O3S/c1-14(2)27-32(30,31)17(12-23)11-18-19(16-7-5-15(3)6-8-16)20-21(24)25-13-26-22(20)28(18)9-4-10-29/h5-8,11,13-14,27,29H,4,9-10H2,1-3H3,(H2,24,25,26)/b17-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	8.0	22
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description RSK2 CTD and His6-ERK2 were expressed and purified as described (Cohen et al., Science, 308: 1318). The C436V mutant of RSK2 CTD was generated by Qui...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 [399-740] (Homo sapiens (Human))	BDBM259840 (US9505766, 44) Show SMILES Cc1ccc(cc1)-c1c(\C=C(/C#N)C(=O)NC2CC2)n(CCCO)c2ncnc(N)c12 Show InChI InChI=1S/C23H24N6O2/c1-14-3-5-15(6-4-14)19-18(11-16(12-24)23(31)28-17-7-8-17)29(9-2-10-30)22-20(19)21(25)26-13-27-22/h3-6,11,13,17,30H,2,7-10H2,1H3,(H,28,31)(H2,25,26,27)/b16-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	8.0	22
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description RSK2 CTD and His6-ERK2 were expressed and purified as described (Cohen et al., Science, 308: 1318). The C436V mutant of RSK2 CTD was generated by Qui...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 [399-740] (Homo sapiens (Human))	BDBM259876 (US9505766, 81) Show SMILES COc1cc(cc(OC)c1OC)-c1n[nH]c2ccc(\C=C(/C#N)C(=O)NC(C)(C)CO)cc12 Show InChI InChI=1S/C24H26N4O5/c1-24(2,13-29)26-23(30)16(12-25)8-14-6-7-18-17(9-14)21(28-27-18)15-10-19(31-3)22(33-5)20(11-15)32-4/h6-11,29H,13H2,1-5H3,(H,26,30)(H,27,28)/b16-8+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	8.0	22
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description RSK2 CTD and His6-ERK2 were expressed and purified as described (Cohen et al., Science, 308: 1318). The C436V mutant of RSK2 CTD was generated by Qui...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 [399-740] (Homo sapiens (Human))	BDBM259807 (US9505766, CN-NH2 (6)) Show SMILES Cc1ccc(cc1)-c1c(\C=C(/C#N)C(N)=O)n(CCCO)c2ncnc(N)c12 Show InChI InChI=1S/C20H20N6O2/c1-12-3-5-13(6-4-12)16-15(9-14(10-21)19(23)28)26(7-2-8-27)20-17(16)18(22)24-11-25-20/h3-6,9,11,27H,2,7-8H2,1H3,(H2,23,28)(H2,22,24,25)/b14-9+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	8.0	22
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description RSK2 CTD and His6-ERK2 were expressed and purified as described (Cohen et al., Science, 308: 1318). The C436V mutant of RSK2 CTD was generated by Qui...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 [399-740] (Homo sapiens (Human))	BDBM259861 (US9505766, 66) Show SMILES Cc1ccc(cc1)-c1c(\C=C(/C#N)C(=O)NC(C)(CO)CO)n(CCCO)c2ncnc(N)c12 Show InChI InChI=1S/C24H28N6O4/c1-15-4-6-16(7-5-15)19-18(10-17(11-25)23(34)29-24(2,12-32)13-33)30(8-3-9-31)22-20(19)21(26)27-14-28-22/h4-7,10,14,31-33H,3,8-9,12-13H2,1-2H3,(H,29,34)(H2,26,27,28)/b17-10+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.60	n/a	n/a	n/a	n/a	8.0	22
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description RSK2 CTD and His6-ERK2 were expressed and purified as described (Cohen et al., Science, 308: 1318). The C436V mutant of RSK2 CTD was generated by Qui...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 [399-740] (Homo sapiens (Human))	BDBM259839 (US9505766, 43) Show SMILES Cc1ccc(cc1)-c1c(\C=C(/C#N)C(=O)NC(C)(C)CO)n(CCCO)c2ncnc(N)c12 Show InChI InChI=1S/C24H28N6O3/c1-15-5-7-16(8-6-15)19-18(11-17(12-25)23(33)29-24(2,3)13-32)30(9-4-10-31)22-20(19)21(26)27-14-28-22/h5-8,11,14,31-32H,4,9-10,13H2,1-3H3,(H,29,33)(H2,26,27,28)/b17-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.80	n/a	n/a	n/a	n/a	8.0	22
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description RSK2 CTD and His6-ERK2 were expressed and purified as described (Cohen et al., Science, 308: 1318). The C436V mutant of RSK2 CTD was generated by Qui...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 [399-740] (Homo sapiens (Human))	BDBM50403059 (CHEMBL2216829 | US9505766, 64) Show SMILES Cc1ccc(cc1)-c1c(\C=C(/C#N)C(=O)NC(C)(C)C)n(CCCO)c2ncnc(N)c12 Show InChI InChI=1S/C24H28N6O2/c1-15-6-8-16(9-7-15)19-18(12-17(13-25)23(32)29-24(2,3)4)30(10-5-11-31)22-20(19)21(26)27-14-28-22/h6-9,12,14,31H,5,10-11H2,1-4H3,(H,29,32)(H2,26,27,28)/b17-12+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	4.5	n/a	n/a	n/a	n/a	8.0	22
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description RSK2 CTD and His6-ERK2 were expressed and purified as described (Cohen et al., Science, 308: 1318). The C436V mutant of RSK2 CTD was generated by Qui...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 [399-740] (Homo sapiens (Human))	BDBM259844 (US9505766, 48) Show SMILES Cc1ccc(cc1)-c1c(\C=C(/C#N)C(=O)N2CCC2)n(CCCO)c2ncnc(N)c12 Show InChI InChI=1S/C23H24N6O2/c1-15-4-6-16(7-5-15)19-18(12-17(13-24)23(31)28-8-2-9-28)29(10-3-11-30)22-20(19)21(25)26-14-27-22/h4-7,12,14,30H,2-3,8-11H2,1H3,(H2,25,26,27)/b17-12+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.70	n/a	n/a	n/a	n/a	8.0	22
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description RSK2 CTD and His6-ERK2 were expressed and purified as described (Cohen et al., Science, 308: 1318). The C436V mutant of RSK2 CTD was generated by Qui...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 [399-740] (Homo sapiens (Human))	BDBM259870 (US9505766, 75) Show SMILES CN(C)NC(=O)C(=C\c1c(-c2ccc(C)cc2)c2c(N)ncnc2n1CCCO)\C#N Show InChI InChI=1S/C22H25N7O2/c1-14-5-7-15(8-6-14)18-17(11-16(12-23)22(31)27-28(2)3)29(9-4-10-30)21-19(18)20(24)25-13-26-21/h5-8,11,13,30H,4,9-10H2,1-3H3,(H,27,31)(H2,24,25,26)/b16-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.80	n/a	n/a	n/a	n/a	8.0	22
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description RSK2 CTD and His6-ERK2 were expressed and purified as described (Cohen et al., Science, 308: 1318). The C436V mutant of RSK2 CTD was generated by Qui...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 [399-740] (Homo sapiens (Human))	BDBM259808 (US9505766, 74 | US9505766, CN-NHiPr (7)) Show SMILES CC(C)NC(=O)C(=C\c1c(-c2ccc(C)cc2)c2c(N)ncnc2n1CCCO)\C#N Show InChI InChI=1S/C23H26N6O2/c1-14(2)28-23(31)17(12-24)11-18-19(16-7-5-15(3)6-8-16)20-21(25)26-13-27-22(20)29(18)9-4-10-30/h5-8,11,13-14,30H,4,9-10H2,1-3H3,(H,28,31)(H2,25,26,27)/b17-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	8.0	22
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description RSK2 CTD and His6-ERK2 were expressed and purified as described (Cohen et al., Science, 308: 1318). The C436V mutant of RSK2 CTD was generated by Qui...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 [399-740] (Homo sapiens (Human))	BDBM259845 (US9505766, 49) Show SMILES CN(C)C(=O)C(=C\c1c(-c2ccc(C)cc2)c2c(N)ncnc2n1CCCO)\C#N Show InChI InChI=1S/C22H24N6O2/c1-14-5-7-15(8-6-14)18-17(11-16(12-23)22(30)27(2)3)28(9-4-10-29)21-19(18)20(24)25-13-26-21/h5-8,11,13,29H,4,9-10H2,1-3H3,(H2,24,25,26)/b16-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	8.0	22
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description RSK2 CTD and His6-ERK2 were expressed and purified as described (Cohen et al., Science, 308: 1318). The C436V mutant of RSK2 CTD was generated by Qui...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 [399-740] (Homo sapiens (Human))	BDBM259806 (US9505766, CN-OtBu (5)) Show SMILES Cc1ccc(cc1)-c1c(\C=C(/C#N)C(=O)OC(C)(C)C)n(CCCO)c2ncnc(N)c12 Show InChI InChI=1S/C24H27N5O3/c1-15-6-8-16(9-7-15)19-18(12-17(13-25)23(31)32-24(2,3)4)29(10-5-11-30)22-20(19)21(26)27-14-28-22/h6-9,12,14,30H,5,10-11H2,1-4H3,(H2,26,27,28)/b17-12+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	8.0	22
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description RSK2 CTD and His6-ERK2 were expressed and purified as described (Cohen et al., Science, 308: 1318). The C436V mutant of RSK2 CTD was generated by Qui...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 [399-740] (Homo sapiens (Human))	BDBM259858 (US9505766, 62) Show SMILES Cc1ccc(cc1)-c1c(\C=C(/C#N)C(=O)N2CCOCC2)n(CCCO)c2ncnc(N)c12 Show InChI InChI=1S/C24H26N6O3/c1-16-3-5-17(6-4-16)20-19(13-18(14-25)24(32)29-8-11-33-12-9-29)30(7-2-10-31)23-21(20)22(26)27-15-28-23/h3-6,13,15,31H,2,7-12H2,1H3,(H2,26,27,28)/b18-13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.5	n/a	n/a	n/a	n/a	8.0	22
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description RSK2 CTD and His6-ERK2 were expressed and purified as described (Cohen et al., Science, 308: 1318). The C436V mutant of RSK2 CTD was generated by Qui...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 [399-740] (Homo sapiens (Human))	BDBM259872 (US9505766, 77) Show SMILES CONC(=O)C(=C\c1c(-c2ccc(C)cc2)c2c(N)ncnc2n1CCCO)\C#N Show InChI InChI=1S/C21H22N6O3/c1-13-4-6-14(7-5-13)17-16(10-15(11-22)21(29)26-30-2)27(8-3-9-28)20-18(17)19(23)24-12-25-20/h4-7,10,12,28H,3,8-9H2,1-2H3,(H,26,29)(H2,23,24,25)/b15-10+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.6	n/a	n/a	n/a	n/a	8.0	22
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description RSK2 CTD and His6-ERK2 were expressed and purified as described (Cohen et al., Science, 308: 1318). The C436V mutant of RSK2 CTD was generated by Qui...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 [399-740] (Homo sapiens (Human))	BDBM259805 (US9505766, CN-OMe (4)) Show SMILES COC(=O)C(=C\c1c(-c2ccc(C)cc2)c2c(N)ncnc2n1CCCO)\C#N Show InChI InChI=1S/C21H21N5O3/c1-13-4-6-14(7-5-13)17-16(10-15(11-22)21(28)29-2)26(8-3-9-27)20-18(17)19(23)24-12-25-20/h4-7,10,12,27H,3,8-9H2,1-2H3,(H2,23,24,25)/b15-10+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	8.0	22
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description RSK2 CTD and His6-ERK2 were expressed and purified as described (Cohen et al., Science, 308: 1318). The C436V mutant of RSK2 CTD was generated by Qui...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 [399-740] (Homo sapiens (Human))	BDBM259846 (US9505766, 50) Show SMILES Cc1ccc(cc1)-c1c(\C=C(/C#N)C(=O)N2CC(O)C2)n(CCCO)c2ncnc(N)c12 Show InChI InChI=1S/C23H24N6O3/c1-14-3-5-15(6-4-14)19-18(9-16(10-24)23(32)28-11-17(31)12-28)29(7-2-8-30)22-20(19)21(25)26-13-27-22/h3-6,9,13,17,30-31H,2,7-8,11-12H2,1H3,(H2,25,26,27)/b16-9+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13.2	n/a	n/a	n/a	n/a	8.0	22
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description RSK2 CTD and His6-ERK2 were expressed and purified as described (Cohen et al., Science, 308: 1318). The C436V mutant of RSK2 CTD was generated by Qui...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 [399-740] (Homo sapiens (Human))	BDBM259836 (US9505766, 40) Show SMILES COc1cc(cc(OC)c1OC)-c1n[nH]c2ccc(\C=C(/C#N)C(N)=O)cc12 Show InChI InChI=1S/C20H18N4O4/c1-26-16-8-12(9-17(27-2)19(16)28-3)18-14-7-11(4-5-15(14)23-24-18)6-13(10-21)20(22)25/h4-9H,1-3H3,(H2,22,25)(H,23,24)/b13-6+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	8.0	22
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description RSK2 CTD and His6-ERK2 were expressed and purified as described (Cohen et al., Science, 308: 1318). The C436V mutant of RSK2 CTD was generated by Qui...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 [399-740] (Homo sapiens (Human))	BDBM259837 (US9505766, 41) Show SMILES CNC(=O)C(=C\c1ccc2[nH]nc(-c3cc(OC)c(OC)c(OC)c3)c2c1)\C#N Show InChI InChI=1S/C21H20N4O4/c1-23-21(26)14(11-22)7-12-5-6-16-15(8-12)19(25-24-16)13-9-17(27-2)20(29-4)18(10-13)28-3/h5-10H,1-4H3,(H,23,26)(H,24,25)/b14-7+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	8.0	22
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description RSK2 CTD and His6-ERK2 were expressed and purified as described (Cohen et al., Science, 308: 1318). The C436V mutant of RSK2 CTD was generated by Qui...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 [399-740] (Homo sapiens (Human))	BDBM259862 (US9505766, 67) Show SMILES Cc1ccc(cc1)-c1c(\C=C(/C#N)n2cncn2)n(CCCO)c2ncnc(N)c12 Show InChI InChI=1S/C21H20N8O/c1-14-3-5-15(6-4-14)18-17(9-16(10-22)29-13-24-11-27-29)28(7-2-8-30)21-19(18)20(23)25-12-26-21/h3-6,9,11-13,30H,2,7-8H2,1H3,(H2,23,25,26)/b16-9+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.8	n/a	n/a	n/a	n/a	8.0	22
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description RSK2 CTD and His6-ERK2 were expressed and purified as described (Cohen et al., Science, 308: 1318). The C436V mutant of RSK2 CTD was generated by Qui...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 [399-740] (Homo sapiens (Human))	BDBM259867 (US9505766, 72) Show SMILES CN(CCO)C(=O)C(=C\c1c(-c2ccc(C)cc2)c2c(N)ncnc2n1CCCO)\C#N Show InChI InChI=1S/C23H26N6O3/c1-15-4-6-16(7-5-15)19-18(12-17(13-24)23(32)28(2)9-11-31)29(8-3-10-30)22-20(19)21(25)26-14-27-22/h4-7,12,14,30-31H,3,8-11H2,1-2H3,(H2,25,26,27)/b17-12+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	8.0	22
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description RSK2 CTD and His6-ERK2 were expressed and purified as described (Cohen et al., Science, 308: 1318). The C436V mutant of RSK2 CTD was generated by Qui...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 [399-740] (Homo sapiens (Human))	BDBM259875 (US9505766, 80) Show SMILES Cc1ccc(cc1)-c1c(\C=C(/C#N)n2ccnn2)n(CCCO)c2ncnc(N)c12 Show InChI InChI=1S/C21H20N8O/c1-14-3-5-15(6-4-14)18-17(11-16(12-22)29-9-7-26-27-29)28(8-2-10-30)21-19(18)20(23)24-13-25-21/h3-7,9,11,13,30H,2,8,10H2,1H3,(H2,23,24,25)/b16-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20.9	n/a	n/a	n/a	n/a	8.0	22
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description RSK2 CTD and His6-ERK2 were expressed and purified as described (Cohen et al., Science, 308: 1318). The C436V mutant of RSK2 CTD was generated by Qui...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 [399-740] (Homo sapiens (Human))	BDBM259842 (US9505766, 46) Show SMILES Cc1ccc(cc1)-c1c(\C=C(/C#N)C(=O)N2CCCC2)n(CCCO)c2ncnc(N)c12 Show InChI InChI=1S/C24H26N6O2/c1-16-5-7-17(8-6-16)20-19(13-18(14-25)24(32)29-9-2-3-10-29)30(11-4-12-31)23-21(20)22(26)27-15-28-23/h5-8,13,15,31H,2-4,9-12H2,1H3,(H2,26,27,28)/b18-13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23.2	n/a	n/a	n/a	n/a	8.0	22
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description RSK2 CTD and His6-ERK2 were expressed and purified as described (Cohen et al., Science, 308: 1318). The C436V mutant of RSK2 CTD was generated by Qui...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 [399-740] (Homo sapiens (Human))	BDBM259841 (US9505766, 45) Show SMILES CCN(CC)C(=O)C(=C\c1c(-c2ccc(C)cc2)c2c(N)ncnc2n1CCCO)\C#N Show InChI InChI=1S/C24H28N6O2/c1-4-29(5-2)24(32)18(14-25)13-19-20(17-9-7-16(3)8-10-17)21-22(26)27-15-28-23(21)30(19)11-6-12-31/h7-10,13,15,31H,4-6,11-12H2,1-3H3,(H2,26,27,28)/b18-13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24.3	n/a	n/a	n/a	n/a	8.0	22
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description RSK2 CTD and His6-ERK2 were expressed and purified as described (Cohen et al., Science, 308: 1318). The C436V mutant of RSK2 CTD was generated by Qui...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 [399-740] (Homo sapiens (Human))	BDBM259868 (US9505766, 73) Show SMILES Cc1ccc(cc1)-c1c(\C=C(/C#N)C(=O)NC(C)(C)C(=O)OCC=C)n(CCCO)c2ncnc(N)c12 Show InChI InChI=1S/C27H30N6O4/c1-5-13-37-26(36)27(3,4)32-25(35)19(15-28)14-20-21(18-9-7-17(2)8-10-18)22-23(29)30-16-31-24(22)33(20)11-6-12-34/h5,7-10,14,16,34H,1,6,11-13H2,2-4H3,(H,32,35)(H2,29,30,31)/b19-14+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	26.1	n/a	n/a	n/a	n/a	8.0	22
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description RSK2 CTD and His6-ERK2 were expressed and purified as described (Cohen et al., Science, 308: 1318). The C436V mutant of RSK2 CTD was generated by Qui...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 [399-740] (Homo sapiens (Human))	BDBM259873 (US9505766, 78) Show SMILES Cc1csc(n1)C(=C\c1c(-c2ccc(C)cc2)c2c(N)ncnc2n1CCCO)\C#N Show InChI InChI=1S/C23H22N6OS/c1-14-4-6-16(7-5-14)19-18(10-17(11-24)23-28-15(2)12-31-23)29(8-3-9-30)22-20(19)21(25)26-13-27-22/h4-7,10,12-13,30H,3,8-9H2,1-2H3,(H2,25,26,27)/b17-10+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30.4	n/a	n/a	n/a	n/a	8.0	22
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description RSK2 CTD and His6-ERK2 were expressed and purified as described (Cohen et al., Science, 308: 1318). The C436V mutant of RSK2 CTD was generated by Qui...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259855 (US9505766, 59) Show SMILES NC(=O)C(=C\c1cccc(c1)-n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12)\C#N Show InChI InChI=1S/C28H20N6O2/c29-15-20(27(31)35)13-18-5-4-6-21(14-18)34-16-24(25-26(30)32-17-33-28(25)34)19-9-11-23(12-10-19)36-22-7-2-1-3-8-22/h1-14,16-17H,(H2,31,35)(H2,30,32,33)/b20-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	25
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description Btk (human, full length) was purchased (Invitrogen, catalog number PV3363) and used as specified in the product literature. Btk (2 nM final concentra...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 [399-740] (Homo sapiens (Human))	BDBM259809 (US9505766, CN-NHBn (8)) Show SMILES Cc1ccc(cc1)-c1c(\C=C(/C#N)C(=O)NCc2ccccc2)n(CCCO)c2ncnc(N)c12 Show InChI InChI=1S/C27H26N6O2/c1-18-8-10-20(11-9-18)23-22(33(12-5-13-34)26-24(23)25(29)31-17-32-26)14-21(15-28)27(35)30-16-19-6-3-2-4-7-19/h2-4,6-11,14,17,34H,5,12-13,16H2,1H3,(H,30,35)(H2,29,31,32)/b21-14+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	8.0	22
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description RSK2 CTD and His6-ERK2 were expressed and purified as described (Cohen et al., Science, 308: 1318). The C436V mutant of RSK2 CTD was generated by Qui...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 [399-740] (Homo sapiens (Human))	BDBM259877 (US9505766, 82) Show SMILES NC(=O)C(=C\c1ccc2[nH]nc(-c3cccnc3)c2c1)\C#N Show InChI InChI=1S/C16H11N5O/c17-8-12(16(18)22)6-10-3-4-14-13(7-10)15(21-20-14)11-2-1-5-19-9-11/h1-7,9H,(H2,18,22)(H,20,21)/b12-6+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	41	n/a	n/a	n/a	n/a	8.0	22
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description RSK2 CTD and His6-ERK2 were expressed and purified as described (Cohen et al., Science, 308: 1318). The C436V mutant of RSK2 CTD was generated by Qui...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 [399-740] (Homo sapiens (Human))	BDBM259860 (US9505766, 65) Show SMILES CN(C)CCN(C)C(=O)C(=C\c1c(-c2ccc(C)cc2)c2c(N)ncnc2n1CCCO)\C#N Show InChI InChI=1S/C25H31N7O2/c1-17-6-8-18(9-7-17)21-20(14-19(15-26)25(34)31(4)12-11-30(2)3)32(10-5-13-33)24-22(21)23(27)28-16-29-24/h6-9,14,16,33H,5,10-13H2,1-4H3,(H2,27,28,29)/b19-14+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	41.3	n/a	n/a	n/a	n/a	8.0	22
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description RSK2 CTD and His6-ERK2 were expressed and purified as described (Cohen et al., Science, 308: 1318). The C436V mutant of RSK2 CTD was generated by Qui...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 [399-740] (Homo sapiens (Human))	BDBM259843 (US9505766, 47) Show SMILES CN1CCN(CC1)C(=O)C(=C\c1c(-c2ccc(C)cc2)c2c(N)ncnc2n1CCCO)\C#N Show InChI InChI=1S/C25H29N7O2/c1-17-4-6-18(7-5-17)21-20(14-19(15-26)25(34)31-11-9-30(2)10-12-31)32(8-3-13-33)24-22(21)23(27)28-16-29-24/h4-7,14,16,33H,3,8-13H2,1-2H3,(H2,27,28,29)/b19-14+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	41.3	n/a	n/a	n/a	n/a	8.0	22
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description RSK2 CTD and His6-ERK2 were expressed and purified as described (Cohen et al., Science, 308: 1318). The C436V mutant of RSK2 CTD was generated by Qui...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259854 (US9505766, 58) Show SMILES Nc1ncnc2n(cc(-c3ccc(Oc4ccccc4)cc3)c12)-c1cccc(\C=C(/C#N)C(=O)N2CC(O)C2)c1 Show InChI InChI=1S/C31H24N6O3/c32-15-22(31(39)36-16-24(38)17-36)13-20-5-4-6-23(14-20)37-18-27(28-29(33)34-19-35-30(28)37)21-9-11-26(12-10-21)40-25-7-2-1-3-8-25/h1-14,18-19,24,38H,16-17H2,(H2,33,34,35)/b22-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	25
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description Btk (human, full length) was purchased (Invitrogen, catalog number PV3363) and used as specified in the product literature. Btk (2 nM final concentra...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 [399-740] (Homo sapiens (Human))	BDBM259859 (US9505766, 63) Show SMILES Cc1ccc(cc1)-c1c(\C=C(/C#N)c2ccncc2)n(CCCO)c2ncnc(N)c12 Show InChI InChI=1S/C24H22N6O/c1-16-3-5-18(6-4-16)21-20(13-19(14-25)17-7-9-27-10-8-17)30(11-2-12-31)24-22(21)23(26)28-15-29-24/h3-10,13,15,31H,2,11-12H2,1H3,(H2,26,28,29)/b19-13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	71	n/a	n/a	n/a	n/a	8.0	22
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description RSK2 CTD and His6-ERK2 were expressed and purified as described (Cohen et al., Science, 308: 1318). The C436V mutant of RSK2 CTD was generated by Qui...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src [S345C] (Homo sapiens (Human))	BDBM259848 (US9505766, 52) Show SMILES CN(C)C(=O)C(=C\c1cccc(c1)-n1cc(-c2ccc(Cl)cc2)c2c(N)ncnc12)\C#N Show InChI InChI=1S/C24H19ClN6O/c1-30(2)24(32)17(12-26)10-15-4-3-5-19(11-15)31-13-20(16-6-8-18(25)9-7-16)21-22(27)28-14-29-23(21)31/h3-11,13-14H,1-2H3,(H2,27,28,29)/b17-10+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	80	n/a	n/a	n/a	n/a	7.4	25
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description Wild-type and S345C mutant cSrc kinase domains were expressed and purified as described (Blair et al., Nat. Chem. Biol., 2007). The purified cSrc kin...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259878 (US9505766, 83) Show SMILES CC(C)(CO)NC(=O)C(=C\c1cccc(c1)-n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12)\C#N Show InChI InChI=1S/C32H28N6O3/c1-32(2,19-39)37-31(40)23(17-33)15-21-7-6-8-24(16-21)38-18-27(28-29(34)35-20-36-30(28)38)22-11-13-26(14-12-22)41-25-9-4-3-5-10-25/h3-16,18,20,39H,19H2,1-2H3,(H,37,40)(H2,34,35,36)/b23-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	25
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description Btk (human, full length) was purchased (Invitrogen, catalog number PV3363) and used as specified in the product literature. Btk (2 nM final concentra...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 [399-740] (Homo sapiens (Human))	BDBM259802 (US9505766, Me enone (1)) Show SMILES CC(=O)\C=C\c1c(-c2ccc(C)cc2)c2c(N)ncnc2n1CCCO Show InChI InChI=1S/C20H22N4O2/c1-13-4-7-15(8-5-13)17-16(9-6-14(2)26)24(10-3-11-25)20-18(17)19(21)22-12-23-20/h4-9,12,25H,3,10-11H2,1-2H3,(H2,21,22,23)/b9-6+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	87	n/a	n/a	n/a	n/a	8.0	22
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description RSK2 CTD and His6-ERK2 were expressed and purified as described (Cohen et al., Science, 308: 1318). The C436V mutant of RSK2 CTD was generated by Qui...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 [399-740] (Homo sapiens (Human))	BDBM259838 (US9505766, 42) Show SMILES COc1cc(cc(OC)c1OC)-c1n[nH]c2ccc(\C=C(/C#N)C(=O)N(C)C)cc12 Show InChI InChI=1S/C22H22N4O4/c1-26(2)22(27)15(12-23)8-13-6-7-17-16(9-13)20(25-24-17)14-10-18(28-3)21(30-5)19(11-14)29-4/h6-11H,1-5H3,(H,24,25)/b15-8+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	89	n/a	n/a	n/a	n/a	8.0	22
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description RSK2 CTD and His6-ERK2 were expressed and purified as described (Cohen et al., Science, 308: 1318). The C436V mutant of RSK2 CTD was generated by Qui...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259847 (US9505766, 51) Show SMILES NC(=O)C(=C\c1cccc(c1)-n1cc(-c2ccc(Cl)cc2)c2c(N)ncnc12)\C#N Show InChI InChI=1S/C22H15ClN6O/c23-16-6-4-14(5-7-16)18-11-29(22-19(18)20(25)27-12-28-22)17-3-1-2-13(9-17)8-15(10-24)21(26)30/h1-9,11-12H,(H2,26,30)(H2,25,27,28)/b15-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	25
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description Btk (human, full length) was purchased (Invitrogen, catalog number PV3363) and used as specified in the product literature. Btk (2 nM final concentra...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 [399-740] (Homo sapiens (Human))	BDBM259816 (US9505766, 16) Show SMILES CNC(=O)C(=C\c1ccc2cn[nH]c2c1)\C#N Show InChI InChI=1S/C12H10N4O/c1-14-12(17)10(6-13)4-8-2-3-9-7-15-16-11(9)5-8/h2-5,7H,1H3,(H,14,17)(H,15,16)/b10-4+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	92	n/a	n/a	n/a	n/a	8.0	22
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description RSK2 CTD and His6-ERK2 were expressed and purified as described (Cohen et al., Science, 308: 1318). The C436V mutant of RSK2 CTD was generated by Qui...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 [T175A] (Homo sapiens (Human))	BDBM259811 (US9505766, 11) Show SMILES NC(=O)C(=C\c1ccc(cc1)-c1c[nH]c2ncccc12)\C#N Show InChI InChI=1S/C17H12N4O/c18-9-13(16(19)22)8-11-3-5-12(6-4-11)15-10-21-17-14(15)2-1-7-20-17/h1-8,10H,(H2,19,22)(H,20,21)/b13-8+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	109	n/a	n/a	n/a	n/a	7.6	25
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description For RSK2 kinase assays, see Example 64 above. Full-length human T175A NEK2 (referred to as NEK2) was expressed and purified as previously described (...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 [399-740] (Homo sapiens (Human))	BDBM259812 (US9505766, 12) Show SMILES NC(=O)C(=C\c1cccc(c1)C(=O)c1c[nH]c2ncccc12)\C#N Show InChI InChI=1S/C18H12N4O2/c19-9-13(17(20)24)8-11-3-1-4-12(7-11)16(23)15-10-22-18-14(15)5-2-6-21-18/h1-8,10H,(H2,20,24)(H,21,22)/b13-8+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	124	n/a	n/a	n/a	n/a	8.0	22
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description RSK2 CTD and His6-ERK2 were expressed and purified as described (Cohen et al., Science, 308: 1318). The C436V mutant of RSK2 CTD was generated by Qui...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 [399-740] (Homo sapiens (Human))	BDBM259830 (US9505766, 34) Show SMILES CNC(=O)C(=C\c1ccc2[nH]ncc2c1)\C#N Show InChI InChI=1S/C12H10N4O/c1-14-12(17)9(6-13)4-8-2-3-11-10(5-8)7-15-16-11/h2-5,7H,1H3,(H,14,17)(H,15,16)/b9-4+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	129	n/a	n/a	n/a	n/a	8.0	22
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description RSK2 CTD and His6-ERK2 were expressed and purified as described (Cohen et al., Science, 308: 1318). The C436V mutant of RSK2 CTD was generated by Qui...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM259848 (US9505766, 52) Show SMILES CN(C)C(=O)C(=C\c1cccc(c1)-n1cc(-c2ccc(Cl)cc2)c2c(N)ncnc12)\C#N Show InChI InChI=1S/C24H19ClN6O/c1-30(2)24(32)17(12-26)10-15-4-3-5-19(11-15)31-13-20(16-6-8-18(25)9-7-16)21-22(27)28-14-29-23(21)31/h3-11,13-14H,1-2H3,(H2,27,28,29)/b17-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	25
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description Btk (human, full length) was purchased (Invitrogen, catalog number PV3363) and used as specified in the product literature. Btk (2 nM final concentra...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [781-1124] (Homo sapiens (Human))	BDBM259848 (US9505766, 52) Show SMILES CN(C)C(=O)C(=C\c1cccc(c1)-n1cc(-c2ccc(Cl)cc2)c2c(N)ncnc12)\C#N Show InChI InChI=1S/C24H19ClN6O/c1-30(2)24(32)17(12-26)10-15-4-3-5-19(11-15)31-13-20(16-6-8-18(25)9-7-16)21-22(27)28-14-29-23(21)31/h3-11,13-14H,1-2H3,(H2,27,28,29)/b17-10+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent									US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 [399-740] (Homo sapiens (Human))	BDBM259828 (US9505766, 32) Show SMILES Cc1ccc(cc1)-c1c(\C=C(/C#N)c2ccccn2)n(CCCO)c2ncnc(N)c12 Show InChI InChI=1S/C24H22N6O/c1-16-6-8-17(9-7-16)21-20(13-18(14-25)19-5-2-3-10-27-19)30(11-4-12-31)24-22(21)23(26)28-15-29-24/h2-3,5-10,13,15,31H,4,11-12H2,1H3,(H2,26,28,29)/b18-13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	142	n/a	n/a	n/a	n/a	8.0	22
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description RSK2 CTD and His6-ERK2 were expressed and purified as described (Cohen et al., Science, 308: 1318). The C436V mutant of RSK2 CTD was generated by Qui...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 [399-740] (Homo sapiens (Human))	BDBM259815 (US9505766, 15) Show SMILES NC(=O)C(=C\c1ccc2cn[nH]c2c1)\C#N Show InChI InChI=1S/C11H8N4O/c12-5-9(11(13)16)3-7-1-2-8-6-14-15-10(8)4-7/h1-4,6H,(H2,13,16)(H,14,15)/b9-3+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	183	n/a	n/a	n/a	n/a	8.0	22
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description RSK2 CTD and His6-ERK2 were expressed and purified as described (Cohen et al., Science, 308: 1318). The C436V mutant of RSK2 CTD was generated by Qui...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 [T175A] (Homo sapiens (Human))	BDBM259836 (US9505766, 40) Show SMILES COc1cc(cc(OC)c1OC)-c1n[nH]c2ccc(\C=C(/C#N)C(N)=O)cc12 Show InChI InChI=1S/C20H18N4O4/c1-26-16-8-12(9-17(27-2)19(16)28-3)18-14-7-11(4-5-15(14)23-24-18)6-13(10-21)20(22)25/h4-9H,1-3H3,(H2,22,25)(H,23,24)/b13-6+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	189	n/a	n/a	n/a	n/a	7.6	25
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description For RSK2 kinase assays, see Example 64 above. Full-length human T175A NEK2 (referred to as NEK2) was expressed and purified as previously described (...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 [399-740,C436V] (Homo sapiens (Human))	BDBM259804 (US9505766, Me acrylate (2)) Show SMILES COC(=O)\C=C\c1c(-c2ccc(C)cc2)c2c(N)ncnc2n1CCCO Show InChI InChI=1S/C20H22N4O3/c1-13-4-6-14(7-5-13)17-15(8-9-16(26)27-2)24(10-3-11-25)20-18(17)19(21)22-12-23-20/h4-9,12,25H,3,10-11H2,1-2H3,(H2,21,22,23)/b9-8+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	190	n/a	n/a	n/a	n/a	8.0	22
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description RSK2 CTD and His6-ERK2 were expressed and purified as described (Cohen et al., Science, 308: 1318). The C436V mutant of RSK2 CTD was generated by Qui...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 [T175A] (Homo sapiens (Human))	BDBM259819 (US9505766, 20) Show SMILES CS(=O)(=O)C(=C\c1ccc(cc1)-c1ncnc2[nH]cnc12)\C#N Show InChI InChI=1S/C15H11N5O2S/c1-23(21,22)12(7-16)6-10-2-4-11(5-3-10)13-14-15(19-8-17-13)20-9-18-14/h2-6,8-9H,1H3,(H,17,18,19,20)/b12-6+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	200	n/a	n/a	n/a	n/a	7.6	25
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description For RSK2 kinase assays, see Example 64 above. Full-length human T175A NEK2 (referred to as NEK2) was expressed and purified as previously described (...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 [T175A] (Homo sapiens (Human))	BDBM259818 (US9505766, 18) Show SMILES NC(=O)C(=C\C1CCN(CC1)c1ncnc2[nH]cnc12)\C#N Show InChI InChI=1S/C14H15N7O/c15-6-10(12(16)22)5-9-1-3-21(4-2-9)14-11-13(18-7-17-11)19-8-20-14/h5,7-9H,1-4H2,(H2,16,22)(H,17,18,19,20)/b10-5+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	211	n/a	n/a	n/a	n/a	7.6	25
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description For RSK2 kinase assays, see Example 64 above. Full-length human T175A NEK2 (referred to as NEK2) was expressed and purified as previously described (...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 [399-740] (Homo sapiens (Human))	BDBM259871 (US9505766, 76) Show SMILES Cc1ccc(cc1)-c1c(\C=C(/C#N)c2cccnc2)n(CCCO)c2ncnc(N)c12 Show InChI InChI=1S/C24H22N6O/c1-16-5-7-17(8-6-16)21-20(12-19(13-25)18-4-2-9-27-14-18)30(10-3-11-31)24-22(21)23(26)28-15-29-24/h2,4-9,12,14-15,31H,3,10-11H2,1H3,(H2,26,28,29)/b19-12+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	224	n/a	n/a	n/a	n/a	8.0	22
THE REGENTS OF THE UNIVERSITY OF CALIFORNIA US Patent					Assay Description RSK2 CTD and His6-ERK2 were expressed and purified as described (Cohen et al., Science, 308: 1318). The C436V mutant of RSK2 CTD was generated by Qui...				US Patent US9505766 (2016) BindingDB Entry DOI: 10.7270/Q2639NPR
					More data for this Ligand-Target Pair

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