Compile Data Set for Download or QSAR

Found 21 hits of ic50 for UniProtKB: P51955   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
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
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
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
Serine/threonine-protein kinase Nek2 [T175A] (Homo sapiens (Human))	BDBM259832 (US9505766, 36) Show SMILES CNC(=O)C(=C\C1CCN(CC1)c1ncnc2[nH]cnc12)\C#N Show InChI InChI=1S/C15H17N7O/c1-17-15(23)11(7-16)6-10-2-4-22(5-3-10)14-12-13(19-8-18-12)20-9-21-14/h6,8-10H,2-5H2,1H3,(H,17,23)(H,18,19,20,21)/b11-6+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	440	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))	BDBM259810 (US9505766, 10) Show SMILES NC(=O)C(=C\c1ccc(cc1)-c1ncnc2[nH]cnc12)\C#N Show InChI InChI=1S/C15H10N6O/c16-6-11(14(17)22)5-9-1-3-10(4-2-9)12-13-15(20-7-18-12)21-8-19-13/h1-5,7-8H,(H2,17,22)(H,18,19,20,21)/b11-5+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	900	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))	BDBM259820 (US9505766, 21) Show SMILES O=S(=O)(C(=C\c1ccc(cc1)-c1ncnc2[nH]cnc12)\C#N)c1ccccc1 Show InChI InChI=1S/C20H13N5O2S/c21-11-17(28(26,27)16-4-2-1-3-5-16)10-14-6-8-15(9-7-14)18-19-20(24-12-22-18)25-13-23-19/h1-10,12-13H,(H,22,23,24,25)/b17-10+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.00E+3	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))	BDBM259822 (US9505766, 23) Show SMILES NC(=O)C(=C\c1cccc(c1)-c1ncnc2[nH]cnc12)\C#N Show InChI InChI=1S/C15H10N6O/c16-6-11(14(17)22)5-9-2-1-3-10(4-9)12-13-15(20-7-18-12)21-8-19-13/h1-5,7-8H,(H2,17,22)(H,18,19,20,21)/b11-5+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.00E+3	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))	BDBM259825 (US9505766, 29) Show SMILES CS(=O)(=O)C(=C\c1cccc(c1)C(=O)c1c[nH]c2ncccc12)\C#N Show InChI InChI=1S/C18H13N3O3S/c1-25(23,24)14(10-19)9-12-4-2-5-13(8-12)17(22)16-11-21-18-15(16)6-3-7-20-18/h2-9,11H,1H3,(H,20,21)/b14-9+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.00E+3	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))	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	1.14E+3	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))	BDBM259813 (US9505766, 13) Show SMILES NC(=O)C(=C\c1ccc2[nH]ncc2c1)\C#N Show InChI InChI=1S/C11H8N4O/c12-5-8(11(13)16)3-7-1-2-10-9(4-7)6-14-15-10/h1-4,6H,(H2,13,16)(H,14,15)/b8-3+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+3	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))	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	3.00E+3	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))	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	3.00E+3	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))	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	3.80E+3	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))	BDBM259824 (US9505766, 25) Show SMILES O=C(N1CCCC1)C(=C\c1ccc2cn[nH]c2c1)\C#N Show InChI InChI=1S/C15H14N4O/c16-9-13(15(20)19-5-1-2-6-19)7-11-3-4-12-10-17-18-14(12)8-11/h3-4,7-8,10H,1-2,5-6H2,(H,17,18)/b13-7+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.50E+3	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))	BDBM259821 (US9505766, 22) Show SMILES NC(=O)C(=C\c1ccc(cc1)-c1ccncc1)\C#N Show InChI InChI=1S/C15H11N3O/c16-10-14(15(17)19)9-11-1-3-12(4-2-11)13-5-7-18-8-6-13/h1-9H,(H2,17,19)/b14-9+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.00E+3	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))	BDBM259817 (US9505766, 17) Show SMILES CC(C)NC(=O)C(=C\c1ccc2cn[nH]c2c1)\C#N Show InChI InChI=1S/C14H14N4O/c1-9(2)17-14(19)12(7-15)5-10-3-4-11-8-16-18-13(11)6-10/h3-6,8-9H,1-2H3,(H,16,18)(H,17,19)/b12-5+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	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))	BDBM259829 (US9505766, 33) Show SMILES NC(=O)C(=C\c1nc2c(N)ncnc2n1CCCO)\C#N Show InChI InChI=1S/C12H13N7O2/c13-5-7(11(15)21)4-8-18-9-10(14)16-6-17-12(9)19(8)2-1-3-20/h4,6,20H,1-3H2,(H2,15,21)(H2,14,16,17)/b7-4+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.00E+4	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))	BDBM259814 (US9505766, 14) Show SMILES O=C(N1CCCC1)C(=C\c1ccc2[nH]ncc2c1)\C#N Show InChI InChI=1S/C15H14N4O/c16-9-12(15(20)19-5-1-2-6-19)7-11-3-4-14-13(8-11)10-17-18-14/h3-4,7-8,10H,1-2,5-6H2,(H,17,18)/b12-7+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	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))	BDBM259827 (US9505766, 31) Show SMILES CCOP(=O)(OCC)C(=C\c1ccc(cc1)-c1ccncc1)\C#N Show InChI InChI=1S/C18H19N2O3P/c1-3-22-24(21,23-4-2)18(14-19)13-15-5-7-16(8-6-15)17-9-11-20-12-10-17/h5-13H,3-4H2,1-2H3/b18-13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.00E+4	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))	BDBM259826 (US9505766, 30) Show SMILES N#C\C=C\c1ccc(cc1)-c1ccncc1 Show InChI InChI=1S/C14H10N2/c15-9-1-2-12-3-5-13(6-4-12)14-7-10-16-11-8-14/h1-8,10-11H/b2-1+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>3.00E+5	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