Compile Data Set for Download or QSAR

Found 216 hits with Last Name = 'serafimova' and Initial = 'i'   

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
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50246361 (CHEMBL455195 | N-(5-((5-tert-butyloxazol-2-yl)meth...) Show SMILES CCC1CC(CCN1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 Show InChI InChI=1S/C19H28N4O2S2/c1-5-13-8-12(6-7-20-13)17(24)23-18-22-10-16(27-18)26-11-15-21-9-14(25-15)19(2,3)4/h9-10,12-13,20H,5-8,11H2,1-4H3,(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin A (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 18: 6236-9 (2008) Article DOI: 10.1016/j.bmcl.2008.09.099 BindingDB Entry DOI: 10.7270/Q2BG2NVC
					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
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50246466 ((3R,5S)-N-(5-((5-tert-butyloxazol-2-yl)methylthio)...) Show SMILES C[C@@H]1CNC[C@@H](C1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r| Show InChI InChI=1S/C18H26N4O2S2/c1-11-5-12(7-19-6-11)16(23)22-17-21-9-15(26-17)25-10-14-20-8-13(24-14)18(2,3)4/h8-9,11-12,19H,5-7,10H2,1-4H3,(H,21,22,23)/t11-,12+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK9/Cyclin T (unknown origin)				Bioorg Med Chem Lett 18: 6236-9 (2008) Article DOI: 10.1016/j.bmcl.2008.09.099 BindingDB Entry DOI: 10.7270/Q2BG2NVC
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM5931 (BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...) Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1 Show InChI InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK9/Cyclin T (unknown origin)				Bioorg Med Chem Lett 18: 6236-9 (2008) Article DOI: 10.1016/j.bmcl.2008.09.099 BindingDB Entry DOI: 10.7270/Q2BG2NVC
					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
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50246465 ((3R,5R)-N-(5-((5-tert-butyloxazol-2-yl)methylthio)...) Show SMILES C[C@H]1CNC[C@@H](C1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r| Show InChI InChI=1S/C18H26N4O2S2/c1-11-5-12(7-19-6-11)16(23)22-17-21-9-15(26-17)25-10-14-20-8-13(24-14)18(2,3)4/h8-9,11-12,19H,5-7,10H2,1-4H3,(H,21,22,23)/t11-,12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin A (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 18: 6236-9 (2008) Article DOI: 10.1016/j.bmcl.2008.09.099 BindingDB Entry DOI: 10.7270/Q2BG2NVC
					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
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50293176 ((trans)-4-(5-((5-tert-butyloxazol-2-yl)methylthio)...) Show SMILES CC(C)(C)c1cnc(CSc2cnc(N[C@H]3CC[C@H](O)CC3)s2)o1 |r,wU:18.18,wD:15.14,(13.85,-15.9,;15.35,-16.31,;15.79,-14.83,;14.91,-17.79,;16.81,-16.79,;17.29,-18.25,;18.83,-18.25,;19.31,-16.79,;20.77,-16.31,;21.92,-17.34,;23.39,-16.87,;24.63,-17.78,;25.88,-16.87,;25.4,-15.41,;26.31,-14.16,;27.84,-14.16,;28.61,-15.49,;30.14,-15.48,;30.91,-14.15,;32.45,-14.15,;30.14,-12.82,;28.6,-12.82,;23.86,-15.41,;18.06,-15.88,)| Show InChI InChI=1S/C17H25N3O2S2/c1-17(2,3)13-8-18-14(22-13)10-23-15-9-19-16(24-15)20-11-4-6-12(21)7-5-11/h8-9,11-12,21H,4-7,10H2,1-3H3,(H,19,20)/t11-,12-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin A by IMAP florescence polarization assay				Bioorg Med Chem Lett 18: 5763-5 (2009) Article DOI: 10.1016/j.bmcl.2008.09.073 BindingDB Entry DOI: 10.7270/Q28P60H0
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50293179 (5-((5-tert-butyloxazol-2-yl)methylthio)-N-cyclohex...) Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC3CCCCC3)s2)o1 Show InChI InChI=1S/C17H25N3OS2/c1-17(2,3)13-9-18-14(21-13)11-22-15-10-19-16(23-15)20-12-7-5-4-6-8-12/h9-10,12H,4-8,11H2,1-3H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin A by IMAP florescence polarization assay				Bioorg Med Chem Lett 18: 5763-5 (2009) Article DOI: 10.1016/j.bmcl.2008.09.073 BindingDB Entry DOI: 10.7270/Q28P60H0
					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))	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))	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
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50246415 (CHEMBL454645 | N-(5-((5-tert-butyloxazol-2-yl)meth...) Show SMILES CC1CCC(CN1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 Show InChI InChI=1S/C18H26N4O2S2/c1-11-5-6-12(7-19-11)16(23)22-17-21-9-15(26-17)25-10-14-20-8-13(24-14)18(2,3)4/h8-9,11-12,19H,5-7,10H2,1-4H3,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin A (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 18: 6236-9 (2008) Article DOI: 10.1016/j.bmcl.2008.09.099 BindingDB Entry DOI: 10.7270/Q2BG2NVC
					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
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50246360 (CHEMBL455194 | N-(5-((5-tert-butyloxazol-2-yl)meth...) Show SMILES CC1CC(CCN1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 Show InChI InChI=1S/C18H26N4O2S2/c1-11-7-12(5-6-19-11)16(23)22-17-21-9-15(26-17)25-10-14-20-8-13(24-14)18(2,3)4/h8-9,11-12,19H,5-7,10H2,1-4H3,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin A (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 18: 6236-9 (2008) Article DOI: 10.1016/j.bmcl.2008.09.099 BindingDB Entry DOI: 10.7270/Q2BG2NVC
					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
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50246413 (CHEMBL509012 | N-(5-((5-tert-butyloxazol-2-yl)meth...) Show SMILES CC(C)C1CC(CCN1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 Show InChI InChI=1S/C20H30N4O2S2/c1-12(2)14-8-13(6-7-21-14)18(25)24-19-23-10-17(28-19)27-11-16-22-9-15(26-16)20(3,4)5/h9-10,12-14,21H,6-8,11H2,1-5H3,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin A (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 18: 6236-9 (2008) Article DOI: 10.1016/j.bmcl.2008.09.099 BindingDB Entry DOI: 10.7270/Q2BG2NVC
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50246466 ((3R,5S)-N-(5-((5-tert-butyloxazol-2-yl)methylthio)...) Show SMILES C[C@@H]1CNC[C@@H](C1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r| Show InChI InChI=1S/C18H26N4O2S2/c1-11-5-12(7-19-6-11)16(23)22-17-21-9-15(26-17)25-10-14-20-8-13(24-14)18(2,3)4/h8-9,11-12,19H,5-7,10H2,1-4H3,(H,21,22,23)/t11-,12+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin A (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 18: 6236-9 (2008) Article DOI: 10.1016/j.bmcl.2008.09.099 BindingDB Entry DOI: 10.7270/Q2BG2NVC
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50293174 ((trans)-N1-(5-((5-tert-butyloxazol-2-yl)methylthio...) Show SMILES CC(C)(C)c1cnc(CSc2cnc(N[C@H]3CC[C@H](N)CC3)s2)o1 |r,wU:18.18,wD:15.14,(8.72,-8.28,;10.22,-8.69,;10.66,-7.21,;9.78,-10.17,;11.68,-9.16,;12.15,-10.63,;13.7,-10.63,;14.18,-9.16,;15.64,-8.69,;16.79,-9.72,;18.25,-9.25,;19.5,-10.16,;20.74,-9.25,;20.27,-7.78,;21.18,-6.54,;22.71,-6.53,;23.48,-7.86,;25.01,-7.86,;25.78,-6.53,;27.32,-6.53,;25.01,-5.2,;23.47,-5.2,;18.73,-7.78,;12.93,-8.25,)| Show InChI InChI=1S/C17H26N4OS2/c1-17(2,3)13-8-19-14(22-13)10-23-15-9-20-16(24-15)21-12-6-4-11(18)5-7-12/h8-9,11-12H,4-7,10,18H2,1-3H3,(H,20,21)/t11-,12-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin A by IMAP florescence polarization assay				Bioorg Med Chem Lett 18: 5763-5 (2009) Article DOI: 10.1016/j.bmcl.2008.09.073 BindingDB Entry DOI: 10.7270/Q28P60H0
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5929 ((+/-)-N-[5-[[[5-(1,1-Dimethylethyl)-2-oxazolyl]met...) Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCCNC3)s2)o1 Show InChI InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-5-4-6-18-7-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin A (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 18: 6236-9 (2008) Article DOI: 10.1016/j.bmcl.2008.09.099 BindingDB Entry DOI: 10.7270/Q2BG2NVC
					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
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50293178 (3-(5-((5-tert-butyloxazol-2-yl)methylthio)thiazol-...) Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC3CCCC(O)C3)s2)o1 Show InChI InChI=1S/C17H25N3O2S2/c1-17(2,3)13-8-18-14(22-13)10-23-15-9-19-16(24-15)20-11-5-4-6-12(21)7-11/h8-9,11-12,21H,4-7,10H2,1-3H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin A by IMAP florescence polarization assay				Bioorg Med Chem Lett 18: 5763-5 (2009) Article DOI: 10.1016/j.bmcl.2008.09.073 BindingDB Entry DOI: 10.7270/Q28P60H0
					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
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50246464 ((3S,5R)-N-(5-((5-tert-butyloxazol-2-yl)methylthio)...) Show SMILES C[C@H]1CNC[C@H](C1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r| Show InChI InChI=1S/C18H26N4O2S2/c1-11-5-12(7-19-6-11)16(23)22-17-21-9-15(26-17)25-10-14-20-8-13(24-14)18(2,3)4/h8-9,11-12,19H,5-7,10H2,1-4H3,(H,21,22,23)/t11-,12+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin A (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 18: 6236-9 (2008) Article DOI: 10.1016/j.bmcl.2008.09.099 BindingDB Entry DOI: 10.7270/Q2BG2NVC
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5931 (BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...) Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1 Show InChI InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin A by IMAP florescence polarization assay				Bioorg Med Chem Lett 18: 5763-5 (2009) Article DOI: 10.1016/j.bmcl.2008.09.073 BindingDB Entry DOI: 10.7270/Q28P60H0
					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
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM5931 (BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...) Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1 Show InChI InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK9/cyclinT by IMAP florescence polarization assay				Bioorg Med Chem Lett 18: 5763-5 (2009) Article DOI: 10.1016/j.bmcl.2008.09.073 BindingDB Entry DOI: 10.7270/Q28P60H0
					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))	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))	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
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
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5931 (BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...) Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1 Show InChI InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin A (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 18: 6236-9 (2008) Article DOI: 10.1016/j.bmcl.2008.09.099 BindingDB Entry DOI: 10.7270/Q2BG2NVC
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM5931 (BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...) Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1 Show InChI InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK7/Cyclin H (unknown origin)				Bioorg Med Chem Lett 18: 6236-9 (2008) Article DOI: 10.1016/j.bmcl.2008.09.099 BindingDB Entry DOI: 10.7270/Q2BG2NVC
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM5931 (BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...) Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1 Show InChI InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CDK7/cyclinH by IMAP florescence polarization assay				Bioorg Med Chem Lett 18: 5763-5 (2009) Article DOI: 10.1016/j.bmcl.2008.09.073 BindingDB Entry DOI: 10.7270/Q28P60H0
					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

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