Compile Data Set for Download or QSAR

Found 8087 hits of ic50 for UniProtKB: P28482   

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
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM204382 (US9242996, 461) Show SMILES Nc1ncc(nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(I)c2)c(F)c1)[C@@H]1CC[C@@H](O)[C@H](O)C1 |r| Show InChI InChI=1S/C25H25F2IN4O4/c26-15-5-14(6-16(28)9-15)20(11-33)32-25(36)17-3-1-13(7-18(17)27)23-24(29)30-10-19(31-23)12-2-4-21(34)22(35)8-12/h1,3,5-7,9-10,12,20-22,33-35H,2,4,8,11H2,(H2,29,30)(H,32,36)/t12-,20-,21-,22-/m1/s1	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	0.00431	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...				US Patent US9242996 (2016) BindingDB Entry DOI: 10.7270/Q2XP73RN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM204241 (US9242996, 315) Show SMILES NC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)[C@@H]1CC[C@@H](O)[C@H](F)C1)c1cc(F)cc(I)c1 |r| Show InChI InChI=1S/C25H25F3IN5O2/c26-15-5-14(6-16(29)9-15)20(10-30)34-25(36)17-3-1-13(8-18(17)27)23-24(31)32-11-21(33-23)12-2-4-22(35)19(28)7-12/h1,3,5-6,8-9,11-12,19-20,22,35H,2,4,7,10,30H2,(H2,31,32)(H,34,36)/t12-,19-,20-,22-/m1/s1	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	0.00500	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...				US Patent US9242996 (2016) BindingDB Entry DOI: 10.7270/Q2XP73RN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM204384 (US9242996, 463) Show SMILES Nc1ncc(nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(I)c2)c(F)c1)[C@H]1CC[C@H](O)[C@@H](O)C1 |r| Show InChI InChI=1S/C25H25F2IN4O4/c26-15-5-14(6-16(28)9-15)20(11-33)32-25(36)17-3-1-13(7-18(17)27)23-24(29)30-10-19(31-23)12-2-4-21(34)22(35)8-12/h1,3,5-7,9-10,12,20-22,33-35H,2,4,8,11H2,(H2,29,30)(H,32,36)/t12-,20+,21-,22-/m0/s1	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	0.00550	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...				US Patent US9242996 (2016) BindingDB Entry DOI: 10.7270/Q2XP73RN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM204469 (US9242996, 179) Show SMILES NC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)C1CCOCC1)c1cc(F)cc(I)c1 Show InChI InChI=1S/C24H24F2IN5O2/c25-16-7-15(8-17(27)10-16)20(11-28)32-24(33)18-2-1-14(9-19(18)26)22-23(29)30-12-21(31-22)13-3-5-34-6-4-13/h1-2,7-10,12-13,20H,3-6,11,28H2,(H2,29,30)(H,32,33)/t20-/m1/s1	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	0.00612	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...				US Patent US9242996 (2016) BindingDB Entry DOI: 10.7270/Q2XP73RN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM204281 (US9242996, 360) Show SMILES CNC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)[C@H]1CC[C@H](O)CC1)c1cc(F)cc(I)c1 |r,wU:21.22,wD:3.3,24.26,(5.33,6.16,;4,6.93,;2.67,6.16,;2.67,4.62,;1.33,3.85,;,4.62,;,6.16,;-1.33,3.85,;-1.33,2.31,;-2.67,1.54,;-4,2.31,;-4,3.85,;-2.67,4.62,;-2.67,6.16,;-5.33,1.54,;-5.33,,;-6.67,-.77,;-8,,;-8,1.54,;-6.67,2.31,;-6.67,3.85,;-6.67,-2.31,;-5.33,-3.08,;-5.33,-4.62,;-6.67,-5.39,;-6.67,-6.93,;-8,-4.62,;-8,-3.08,;4,3.85,;5.33,4.62,;6.67,3.85,;8,4.62,;6.67,2.31,;5.33,1.54,;5.33,,;4,2.31,)| Show InChI InChI=1S/C26H28F2IN5O2/c1-31-12-22(16-8-17(27)11-18(29)9-16)34-26(36)20-7-4-15(10-21(20)28)24-25(30)32-13-23(33-24)14-2-5-19(35)6-3-14/h4,7-11,13-14,19,22,31,35H,2-3,5-6,12H2,1H3,(H2,30,32)(H,34,36)/t14-,19-,22-/m1/s1	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	0.00665	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...				US Patent US9242996 (2016) BindingDB Entry DOI: 10.7270/Q2XP73RN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM204470 (US9242996, 180) Show SMILES NC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)C1CCOCC1)c1cc(F)cc(Br)c1 Show InChI InChI=1S/C24H24BrF2N5O2/c25-16-7-15(8-17(26)10-16)20(11-28)32-24(33)18-2-1-14(9-19(18)27)22-23(29)30-12-21(31-22)13-3-5-34-6-4-13/h1-2,7-10,12-13,20H,3-6,11,28H2,(H2,29,30)(H,32,33)/t20-/m1/s1	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	0.00671	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...				US Patent US9242996 (2016) BindingDB Entry DOI: 10.7270/Q2XP73RN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM204316 (US9242996, 395) Show SMILES CSc1cc(F)cc(c1)[C@@H](CO)NC(=O)c1ccc(cc1F)-c1nc(cnc1N)C1CCOCC1 |r| Show InChI InChI=1S/C25H26F2N4O3S/c1-35-18-9-16(8-17(26)11-18)22(13-32)31-25(33)19-3-2-15(10-20(19)27)23-24(28)29-12-21(30-23)14-4-6-34-7-5-14/h2-3,8-12,14,22,32H,4-7,13H2,1H3,(H2,28,29)(H,31,33)/t22-/m1/s1	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	0.00827	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...				US Patent US9242996 (2016) BindingDB Entry DOI: 10.7270/Q2XP73RN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM204294 (US9242996, 373) Show SMILES NC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)[C@H]1CC[C@H](O)CC1)c1cc(F)cc(I)c1 |r,wU:23.25,wD:20.21,2.2,(4,6.93,;2.67,6.16,;2.67,4.62,;1.33,3.85,;,4.62,;,6.16,;-1.33,3.85,;-1.33,2.31,;-2.67,1.54,;-4,2.31,;-4,3.85,;-2.67,4.62,;-2.67,6.16,;-5.33,1.54,;-5.33,,;-6.67,-.77,;-8,,;-8,1.54,;-6.67,2.31,;-6.67,3.85,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-6.67,-6.93,;-5.33,-4.62,;-5.33,-3.08,;4,3.85,;5.33,4.62,;6.67,3.85,;8,4.62,;6.67,2.31,;5.33,1.54,;5.33,,;4,2.31,)| Show InChI InChI=1S/C25H26F2IN5O2/c26-16-7-15(8-17(28)10-16)21(11-29)33-25(35)19-6-3-14(9-20(19)27)23-24(30)31-12-22(32-23)13-1-4-18(34)5-2-13/h3,6-10,12-13,18,21,34H,1-2,4-5,11,29H2,(H2,30,31)(H,33,35)/t13-,18-,21-/m1/s1	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	0.00837	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...				US Patent US9242996 (2016) BindingDB Entry DOI: 10.7270/Q2XP73RN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM204168 (US9242996, 242) Show SMILES Cc1c(cnn1C)-c1cnc(N)c(c1)-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(CF)c2)c(F)c1 |r| Show InChI InChI=1S/C26H24F3N5O2/c1-14-22(12-32-34(14)2)18-8-21(25(30)31-11-18)16-3-4-20(23(29)9-16)26(36)33-24(13-35)17-5-15(10-27)6-19(28)7-17/h3-9,11-12,24,35H,10,13H2,1-2H3,(H2,30,31)(H,33,36)/t24-/m1/s1	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	0.00875	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...				US Patent US9242996 (2016) BindingDB Entry DOI: 10.7270/Q2XP73RN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM204405 (US9242996, 478a) Show SMILES Nc1ncc(nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(I)c2)c(F)c1)[C@@H]1CCC(=O)NC1 |r| Show InChI InChI=1S/C24H22F2IN5O3/c25-15-5-14(6-16(27)8-15)20(11-33)32-24(35)17-3-1-12(7-18(17)26)22-23(28)30-10-19(31-22)13-2-4-21(34)29-9-13/h1,3,5-8,10,13,20,33H,2,4,9,11H2,(H2,28,30)(H,29,34)(H,32,35)/t13-,20-/m1/s1	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	0.00900	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...				US Patent US9242996 (2016) BindingDB Entry DOI: 10.7270/Q2XP73RN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM204301 (US9242996, 380) Show SMILES CNC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)C1CCOCC1)c1cccc(Br)c1 |r| Show InChI InChI=1S/C25H27BrFN5O2/c1-29-13-21(16-3-2-4-18(26)11-16)32-25(33)19-6-5-17(12-20(19)27)23-24(28)30-14-22(31-23)15-7-9-34-10-8-15/h2-6,11-12,14-15,21,29H,7-10,13H2,1H3,(H2,28,30)(H,32,33)/t21-/m1/s1	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	0.00970	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...				US Patent US9242996 (2016) BindingDB Entry DOI: 10.7270/Q2XP73RN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM204270 (US9242996, 344) Show SMILES Nc1ncc(nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(I)c2)c(F)c1)[C@H]1CC[C@H](O)CC1 |r,wU:31.34,wD:28.30,14.14,(-6.67,3.85,;-6.67,2.31,;-8,1.54,;-8,,;-6.67,-.77,;-5.33,,;-5.33,1.54,;-4,2.31,;-2.67,1.54,;-1.33,2.31,;-1.33,3.85,;,4.62,;,6.16,;1.33,3.85,;2.67,4.62,;2.67,6.16,;4,6.93,;4,3.85,;5.33,4.62,;6.67,3.85,;8,4.62,;6.67,2.31,;5.33,1.54,;5.33,,;4,2.31,;-2.67,4.62,;-2.67,6.16,;-4,3.85,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-6.67,-6.93,;-5.33,-4.62,;-5.33,-3.08,)| Show InChI InChI=1S/C25H25F2IN4O3/c26-16-7-15(8-17(28)10-16)22(12-33)32-25(35)19-6-3-14(9-20(19)27)23-24(29)30-11-21(31-23)13-1-4-18(34)5-2-13/h3,6-11,13,18,22,33-34H,1-2,4-5,12H2,(H2,29,30)(H,32,35)/t13-,18-,22-/m1/s1	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	0.00977	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...				US Patent US9242996 (2016) BindingDB Entry DOI: 10.7270/Q2XP73RN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM204255 (US9242996, 329) Show SMILES Nc1ncc(nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(CF)c2)c(F)c1)C1CCOCC1 |r| Show InChI InChI=1S/C25H25F3N4O3/c26-11-14-7-17(9-18(27)8-14)22(13-33)32-25(34)19-2-1-16(10-20(19)28)23-24(29)30-12-21(31-23)15-3-5-35-6-4-15/h1-2,7-10,12,15,22,33H,3-6,11,13H2,(H2,29,30)(H,32,34)/t22-/m1/s1	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	0.0100	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...				US Patent US9242996 (2016) BindingDB Entry DOI: 10.7270/Q2XP73RN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1/3 (Homo sapiens (Human))	BDBM28123 (3-cyanoquinoline, 8 | 4-({3-chloro-4-[(1-methyl-1H...) Show SMILES COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(cnc2cc1OCCCN1CCOCC1)C#N Show InChI InChI=1S/C28H29ClN6O3S/c1-34-8-6-31-28(34)39-26-5-4-20(14-22(26)29)33-27-19(17-30)18-32-23-16-25(24(36-2)15-21(23)27)38-11-3-7-35-9-12-37-13-10-35/h4-6,8,14-16,18H,3,7,9-13H2,1-2H3,(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0100	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MEK1 phosphorylation in LoVo cells				Bioorg Med Chem Lett 13: 3031-4 (2003) BindingDB Entry DOI: 10.7270/Q2P84B8T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50115402 (CHEMBL3608588) Show SMILES OC[C@@H](N1CCCn2cc(cc2C1=O)-c1ccnc(NC2CCOCC2)n1)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C25H28ClN5O3/c26-19-4-1-3-17(13-19)23(16-32)31-10-2-9-30-15-18(14-22(30)24(31)33)21-5-8-27-25(29-21)28-20-6-11-34-12-7-20/h1,3-5,8,13-15,20,23,32H,2,6-7,9-12,16H2,(H,27,28,29)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.0100	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin)				Bioorg Med Chem Lett 25: 3788-92 (2015) Article DOI: 10.1016/j.bmcl.2015.07.091 BindingDB Entry DOI: 10.7270/Q2G44S3Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM204308 (US9242996, 387) Show SMILES CSc1cccc(c1)[C@@H](CO)NC(=O)c1ccc(cc1F)-c1nc(cnc1N)C1CCOCC1 |r| Show InChI InChI=1S/C25H27FN4O3S/c1-34-18-4-2-3-16(11-18)22(14-31)30-25(32)19-6-5-17(12-20(19)26)23-24(27)28-13-21(29-23)15-7-9-33-10-8-15/h2-6,11-13,15,22,31H,7-10,14H2,1H3,(H2,27,28)(H,30,32)/t22-/m1/s1	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	0.0100	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...				US Patent US9242996 (2016) BindingDB Entry DOI: 10.7270/Q2XP73RN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM204274 (US9242996, 353) Show SMILES NC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)[C@@H]1CC[C@@H](O)[C@@H](F)C1)c1cc(F)cc(Br)c1 |r| Show InChI InChI=1S/C25H25BrF3N5O2/c26-15-5-14(6-16(27)9-15)20(10-30)34-25(36)17-3-1-13(8-18(17)28)23-24(31)32-11-21(33-23)12-2-4-22(35)19(29)7-12/h1,3,5-6,8-9,11-12,19-20,22,35H,2,4,7,10,30H2,(H2,31,32)(H,34,36)/t12-,19+,20-,22-/m1/s1	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	0.0103	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...				US Patent US9242996 (2016) BindingDB Entry DOI: 10.7270/Q2XP73RN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM204496 (US9242996, 206) Show SMILES Cc1nn(cc1-c1cnc(N)c(c1)-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(CF)c2)c(F)c1)C(F)F Show InChI InChI=1S/C26H22F5N5O2/c1-13-21(11-36(35-13)26(30)31)17-7-20(24(32)33-10-17)15-2-3-19(22(29)8-15)25(38)34-23(12-37)16-4-14(9-27)5-18(28)6-16/h2-8,10-11,23,26,37H,9,12H2,1H3,(H2,32,33)(H,34,38)/t23-/m1/s1	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	0.0104	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...				US Patent US9242996 (2016) BindingDB Entry DOI: 10.7270/Q2XP73RN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM204303 (US9242996, 382) Show SMILES CO[C@H]1CC[C@@H](CC1)c1cnc(N)c(n1)-c1ccc(C(=O)N[C@H](CN)c2cc(F)cc(I)c2)c(F)c1 |r,wU:2.1,wD:5.8,22.23,(-5.33,-7.31,;-6.67,-6.54,;-6.67,-5.01,;-8,-4.24,;-8,-2.7,;-6.67,-1.93,;-5.33,-2.7,;-5.33,-4.24,;-6.67,-.39,;-8,.38,;-8,1.92,;-6.67,2.69,;-6.67,4.23,;-5.33,1.92,;-5.33,.38,;-4,2.69,;-2.67,1.92,;-1.33,2.69,;-1.33,4.23,;,5,;,6.54,;1.33,4.23,;2.67,5,;2.67,6.54,;4,7.31,;4,4.23,;5.33,5,;6.67,4.23,;8,5,;6.67,2.69,;5.33,1.92,;5.33,.39,;4,2.69,;-2.67,5,;-2.67,6.54,;-4,4.23,)| Show InChI InChI=1S/C26H28F2IN5O2/c1-36-19-5-2-14(3-6-19)23-13-32-25(31)24(33-23)15-4-7-20(21(28)10-15)26(35)34-22(12-30)16-8-17(27)11-18(29)9-16/h4,7-11,13-14,19,22H,2-3,5-6,12,30H2,1H3,(H2,31,32)(H,34,35)/t14-,19-,22-/m1/s1	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	0.0107	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...				US Patent US9242996 (2016) BindingDB Entry DOI: 10.7270/Q2XP73RN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM204269 (US9242996, 343) Show SMILES NC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)[C@H]1CC[C@H](O)CC1)c1cccc(I)c1 |r,wU:23.25,wD:20.21,2.2,(4.67,6.93,;3.33,6.16,;3.33,4.62,;2,3.85,;.67,4.62,;.67,6.16,;-.67,3.85,;-.67,2.31,;-2,1.54,;-3.33,2.31,;-3.33,3.85,;-2,4.62,;-2,6.16,;-4.67,1.54,;-4.67,,;-6,-.77,;-7.34,,;-7.34,1.54,;-6,2.31,;-6,3.85,;-6,-2.31,;-7.34,-3.08,;-7.34,-4.62,;-6,-5.39,;-6,-6.93,;-4.67,-4.62,;-4.67,-3.08,;4.67,3.85,;6,4.62,;7.34,3.85,;7.34,2.31,;6,1.54,;6,,;4.67,2.31,)| Show InChI InChI=1S/C25H27FIN5O2/c26-20-11-16(23-24(29)30-13-22(31-23)14-4-7-18(33)8-5-14)6-9-19(20)25(34)32-21(12-28)15-2-1-3-17(27)10-15/h1-3,6,9-11,13-14,18,21,33H,4-5,7-8,12,28H2,(H2,29,30)(H,32,34)/t14-,18-,21-/m1/s1	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	0.0110	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...				US Patent US9242996 (2016) BindingDB Entry DOI: 10.7270/Q2XP73RN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM204471 (US9242996, 181) Show SMILES NC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)C1CCOCC1)c1cc(F)cc(Cl)c1 Show InChI InChI=1S/C24H24ClF2N5O2/c25-16-7-15(8-17(26)10-16)20(11-28)32-24(33)18-2-1-14(9-19(18)27)22-23(29)30-12-21(31-22)13-3-5-34-6-4-13/h1-2,7-10,12-13,20H,3-6,11,28H2,(H2,29,30)(H,32,33)/t20-/m1/s1	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	0.0119	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...				US Patent US9242996 (2016) BindingDB Entry DOI: 10.7270/Q2XP73RN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM204169 (US9242996, 243) Show SMILES Cc1nn(C)cc1-c1cnc(N)c(c1)-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(CF)c2)c(F)c1 |r| Show InChI InChI=1S/C26H24F3N5O2/c1-14-22(12-34(2)33-14)18-8-21(25(30)31-11-18)16-3-4-20(23(29)9-16)26(36)32-24(13-35)17-5-15(10-27)6-19(28)7-17/h3-9,11-12,24,35H,10,13H2,1-2H3,(H2,30,31)(H,32,36)/t24-/m1/s1	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	0.0121	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...				US Patent US9242996 (2016) BindingDB Entry DOI: 10.7270/Q2XP73RN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM204185 (US9242996, 259) Show SMILES Nc1ncc(nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(Br)c2)c(F)c1)C1CCOCC1 |r| Show InChI InChI=1S/C24H23BrF2N4O3/c25-16-7-15(8-17(26)10-16)21(12-32)31-24(33)18-2-1-14(9-19(18)27)22-23(28)29-11-20(30-22)13-3-5-34-6-4-13/h1-2,7-11,13,21,32H,3-6,12H2,(H2,28,29)(H,31,33)/t21-/m1/s1	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	0.0127	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...				US Patent US9242996 (2016) BindingDB Entry DOI: 10.7270/Q2XP73RN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM204479 (US9242996, 189) Show SMILES Nc1ncc(nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(I)c2)c(F)c1)[C@H]1CC[C@H](O)[C@@H](F)C1 Show InChI InChI=1S/C25H24F3IN4O3/c26-15-5-14(6-16(29)9-15)21(11-34)33-25(36)17-3-1-13(8-18(17)27)23-24(30)31-10-20(32-23)12-2-4-22(35)19(28)7-12/h1,3,5-6,8-10,12,19,21-22,34-35H,2,4,7,11H2,(H2,30,31)(H,33,36)/t12-,19-,21+,22-/m0/s1	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	0.0139	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...				US Patent US9242996 (2016) BindingDB Entry DOI: 10.7270/Q2XP73RN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM204264 (US9242996, 338) Show SMILES NC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)[C@@H]1CC[C@@H](O)[C@H](F)C1)c1cc(F)cc(Br)c1 |r| Show InChI InChI=1S/C25H25BrF3N5O2/c26-15-5-14(6-16(27)9-15)20(10-30)34-25(36)17-3-1-13(8-18(17)28)23-24(31)32-11-21(33-23)12-2-4-22(35)19(29)7-12/h1,3,5-6,8-9,11-12,19-20,22,35H,2,4,7,10,30H2,(H2,31,32)(H,34,36)/t12-,19-,20-,22-/m1/s1	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	0.0139	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...				US Patent US9242996 (2016) BindingDB Entry DOI: 10.7270/Q2XP73RN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM204188 (US9242996, 262) Show SMILES Cc1c(cnn1C(F)F)-c1cnc(N)c(c1)-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(CF)c2)c(F)c1 |r| Show InChI InChI=1S/C26H22F5N5O2/c1-13-21(11-34-36(13)26(30)31)17-7-20(24(32)33-10-17)15-2-3-19(22(29)8-15)25(38)35-23(12-37)16-4-14(9-27)5-18(28)6-16/h2-8,10-11,23,26,37H,9,12H2,1H3,(H2,32,33)(H,35,38)/t23-/m1/s1	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	0.0140	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...				US Patent US9242996 (2016) BindingDB Entry DOI: 10.7270/Q2XP73RN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM204262 (US9242996, 336) Show SMILES CNC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)C1CCOCC1)c1cc(F)cc(Cl)c1 |r| Show InChI InChI=1S/C25H26ClF2N5O2/c1-30-12-21(16-8-17(26)11-18(27)9-16)33-25(34)19-3-2-15(10-20(19)28)23-24(29)31-13-22(32-23)14-4-6-35-7-5-14/h2-3,8-11,13-14,21,30H,4-7,12H2,1H3,(H2,29,31)(H,33,34)/t21-/m1/s1	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	0.0143	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...				US Patent US9242996 (2016) BindingDB Entry DOI: 10.7270/Q2XP73RN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM204278 (US9242996, 357) Show SMILES CNC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)[C@H]1CC[C@H](O)[C@@H](F)C1)c1cc(F)cc(I)c1 |r| Show InChI InChI=1S/C26H27F3IN5O2/c1-32-11-21(15-6-16(27)10-17(30)7-15)35-26(37)18-4-2-14(9-19(18)28)24-25(31)33-12-22(34-24)13-3-5-23(36)20(29)8-13/h2,4,6-7,9-10,12-13,20-21,23,32,36H,3,5,8,11H2,1H3,(H2,31,33)(H,35,37)/t13-,20-,21+,23-/m0/s1	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	0.0143	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...				US Patent US9242996 (2016) BindingDB Entry DOI: 10.7270/Q2XP73RN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM204315 (US9242996, 394) Show SMILES CSc1cc(F)cc(c1)[C@@H](CO)NC(=O)c1ccc(cc1F)-c1nc(cnc1N)-c1cn(C)nc1C |r| Show InChI InChI=1S/C25H24F2N6O2S/c1-13-19(11-33(2)32-13)21-10-29-24(28)23(30-21)14-4-5-18(20(27)8-14)25(35)31-22(12-34)15-6-16(26)9-17(7-15)36-3/h4-11,22,34H,12H2,1-3H3,(H2,28,29)(H,31,35)/t22-/m1/s1	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	0.0153	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...				US Patent US9242996 (2016) BindingDB Entry DOI: 10.7270/Q2XP73RN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM204193 (US9242996, 267) Show SMILES Cn1nncc1-c1cnc(N)c(c1)-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(I)c2)c(F)c1 |r| Show InChI InChI=1S/C23H19F2IN6O2/c1-32-21(10-29-31-32)14-6-18(22(27)28-9-14)12-2-3-17(19(25)7-12)23(34)30-20(11-33)13-4-15(24)8-16(26)5-13/h2-10,20,33H,11H2,1H3,(H2,27,28)(H,30,34)/t20-/m1/s1	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	0.0158	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...				US Patent US9242996 (2016) BindingDB Entry DOI: 10.7270/Q2XP73RN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM204187 (US9242996, 261) Show SMILES Cc1nn(cc1-c1cnc(N)c(c1)-c1ccc(C(=O)N[C@H](CO)c2cccc(CF)c2)c(F)c1)C(F)F |r| Show InChI InChI=1S/C26H23F4N5O2/c1-14-21(12-35(34-14)26(29)30)18-8-20(24(31)32-11-18)16-5-6-19(22(28)9-16)25(37)33-23(13-36)17-4-2-3-15(7-17)10-27/h2-9,11-12,23,26,36H,10,13H2,1H3,(H2,31,32)(H,33,37)/t23-/m1/s1	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	0.0168	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...				US Patent US9242996 (2016) BindingDB Entry DOI: 10.7270/Q2XP73RN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM204268 (US9242996, 342) Show SMILES Nc1ncc(nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(Br)c2)c(F)c1)[C@H]1CC[C@H](O)CC1 |r,wU:31.34,wD:28.30,14.14,(-6.67,3.85,;-6.67,2.31,;-8,1.54,;-8,,;-6.67,-.77,;-5.33,,;-5.33,1.54,;-4,2.31,;-2.67,1.54,;-1.33,2.31,;-1.33,3.85,;,4.62,;,6.16,;1.33,3.85,;2.67,4.62,;2.67,6.16,;4,6.93,;4,3.85,;5.33,4.62,;6.67,3.85,;8,4.62,;6.67,2.31,;5.33,1.54,;5.33,,;4,2.31,;-2.67,4.62,;-2.67,6.16,;-4,3.85,;-6.67,-2.31,;-8,-3.08,;-8,-4.62,;-6.67,-5.39,;-6.67,-6.93,;-5.33,-4.62,;-5.33,-3.08,)| Show InChI InChI=1S/C25H25BrF2N4O3/c26-16-7-15(8-17(27)10-16)22(12-33)32-25(35)19-6-3-14(9-20(19)28)23-24(29)30-11-21(31-23)13-1-4-18(34)5-2-13/h3,6-11,13,18,22,33-34H,1-2,4-5,12H2,(H2,29,30)(H,32,35)/t13-,18-,22-/m1/s1	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	0.0173	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...				US Patent US9242996 (2016) BindingDB Entry DOI: 10.7270/Q2XP73RN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM204272 (US9242996, 346) Show SMILES Nc1ncc(nc1-c1ccc(C(=O)N[C@H](CO)c2cccc(I)c2)c(F)c1)[C@H]1CC[C@H](O)CC1 |r,wU:30.33,wD:27.29,14.14,(-6,3.85,;-6,2.31,;-7.34,1.54,;-7.34,,;-6,-.77,;-4.67,,;-4.67,1.54,;-3.33,2.31,;-2,1.54,;-.67,2.31,;-.67,3.85,;.67,4.62,;.67,6.16,;2,3.85,;3.33,4.62,;3.33,6.16,;4.67,6.93,;4.67,3.85,;6,4.62,;7.34,3.85,;7.34,2.31,;6,1.54,;6,,;4.67,2.31,;-2,4.62,;-2,6.16,;-3.33,3.85,;-6,-2.31,;-7.34,-3.08,;-7.34,-4.62,;-6,-5.39,;-6,-6.93,;-4.67,-4.62,;-4.67,-3.08,)| Show InChI InChI=1S/C25H26FIN4O3/c26-20-11-16(23-24(28)29-12-21(30-23)14-4-7-18(33)8-5-14)6-9-19(20)25(34)31-22(13-32)15-2-1-3-17(27)10-15/h1-3,6,9-12,14,18,22,32-33H,4-5,7-8,13H2,(H2,28,29)(H,31,34)/t14-,18-,22-/m1/s1	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	0.0175	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...				US Patent US9242996 (2016) BindingDB Entry DOI: 10.7270/Q2XP73RN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM204480 (US9242996, 190) Show SMILES Nc1ncc(nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(I)c2)c(F)c1)[C@@H]1CC[C@@H](O)[C@H](F)C1 Show InChI InChI=1S/C25H24F3IN4O3/c26-15-5-14(6-16(29)9-15)21(11-34)33-25(36)17-3-1-13(8-18(17)27)23-24(30)31-10-20(32-23)12-2-4-22(35)19(28)7-12/h1,3,5-6,8-10,12,19,21-22,34-35H,2,4,7,11H2,(H2,30,31)(H,33,36)/t12-,19-,21-,22-/m1/s1	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	0.0176	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...				US Patent US9242996 (2016) BindingDB Entry DOI: 10.7270/Q2XP73RN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM204297 (US9242996, 376) Show SMILES CNC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)[C@H]1CC[C@H](O)CC1)c1cc(F)cc(Br)c1 |r,wU:21.22,wD:3.3,24.26,(5.33,6.16,;4,6.93,;2.67,6.16,;2.67,4.62,;1.33,3.85,;,4.62,;,6.16,;-1.33,3.85,;-1.33,2.31,;-2.67,1.54,;-4,2.31,;-4,3.85,;-2.67,4.62,;-2.67,6.16,;-5.33,1.54,;-5.33,,;-6.67,-.77,;-8,,;-8,1.54,;-6.67,2.31,;-6.67,3.85,;-6.67,-2.31,;-5.33,-3.08,;-5.33,-4.62,;-6.67,-5.39,;-6.67,-6.93,;-8,-4.62,;-8,-3.08,;4,3.85,;5.33,4.62,;6.67,3.85,;8,4.62,;6.67,2.31,;5.33,1.54,;5.33,,;4,2.31,)| Show InChI InChI=1S/C26H28BrF2N5O2/c1-31-12-22(16-8-17(27)11-18(28)9-16)34-26(36)20-7-4-15(10-21(20)29)24-25(30)32-13-23(33-24)14-2-5-19(35)6-3-14/h4,7-11,13-14,19,22,31,35H,2-3,5-6,12H2,1H3,(H2,30,32)(H,34,36)/t14-,19-,22-/m1/s1	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	0.0183	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...				US Patent US9242996 (2016) BindingDB Entry DOI: 10.7270/Q2XP73RN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM204386 (US9242996, 465) Show SMILES Nc1ncc(nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(Br)c2)c(F)c1)[C@@H]1CC[C@@H](O)[C@H](O)C1 |r| Show InChI InChI=1S/C25H25BrF2N4O4/c26-15-5-14(6-16(27)9-15)20(11-33)32-25(36)17-3-1-13(7-18(17)28)23-24(29)30-10-19(31-23)12-2-4-21(34)22(35)8-12/h1,3,5-7,9-10,12,20-22,33-35H,2,4,8,11H2,(H2,29,30)(H,32,36)/t12-,20-,21-,22-/m1/s1	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	0.0187	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...				US Patent US9242996 (2016) BindingDB Entry DOI: 10.7270/Q2XP73RN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM204458 (US9242996, 133) Show SMILES Cc1c(cnn1C)-c1cnc(N)c(c1)-c1ccc(C(=O)N[C@H](CO)c2cccc(Cl)c2)c(F)c1 Show InChI InChI=1S/C25H23ClFN5O2/c1-14-21(12-30-32(14)2)17-9-20(24(28)29-11-17)15-6-7-19(22(27)10-15)25(34)31-23(13-33)16-4-3-5-18(26)8-16/h3-12,23,33H,13H2,1-2H3,(H2,28,29)(H,31,34)/t23-/m1/s1	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	0.0187	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...				US Patent US9242996 (2016) BindingDB Entry DOI: 10.7270/Q2XP73RN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50115401 (CHEMBL3608589) Show SMILES OC[C@@H](N1CCCn2cc(cc2C1=O)-c1ccnc(NC2CCOCC2)n1)c1cc(F)cc(Cl)c1 |r| Show InChI InChI=1S/C25H27ClFN5O3/c26-18-10-16(11-19(27)13-18)23(15-33)32-7-1-6-31-14-17(12-22(31)24(32)34)21-2-5-28-25(30-21)29-20-3-8-35-9-4-20/h2,5,10-14,20,23,33H,1,3-4,6-9,15H2,(H,28,29,30)/t23-/m1/s1	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	0.0190	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin)				Bioorg Med Chem Lett 25: 3788-92 (2015) Article DOI: 10.1016/j.bmcl.2015.07.091 BindingDB Entry DOI: 10.7270/Q2G44S3Q
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM204275 (US9242996, 354) Show SMILES NC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)[C@H]1CC[C@H](O)[C@H](F)C1)c1cc(F)cc(Br)c1 |r| Show InChI InChI=1S/C25H25BrF3N5O2/c26-15-5-14(6-16(27)9-15)20(10-30)34-25(36)17-3-1-13(8-18(17)28)23-24(31)32-11-21(33-23)12-2-4-22(35)19(29)7-12/h1,3,5-6,8-9,11-12,19-20,22,35H,2,4,7,10,30H2,(H2,31,32)(H,34,36)/t12-,19+,20+,22-/m0/s1	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	0.0194	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...				US Patent US9242996 (2016) BindingDB Entry DOI: 10.7270/Q2XP73RN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM204183 (US9242996, 257) Show SMILES Nc1ncc(nc1-c1ccc(C(=O)N[C@H](CO)c2cccc(CF)c2)c(F)c1)C1CCOCC1 |r| Show InChI InChI=1S/C25H26F2N4O3/c26-12-15-2-1-3-17(10-15)22(14-32)31-25(33)19-5-4-18(11-20(19)27)23-24(28)29-13-21(30-23)16-6-8-34-9-7-16/h1-5,10-11,13,16,22,32H,6-9,12,14H2,(H2,28,29)(H,31,33)/t22-/m1/s1	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	0.0197	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...				US Patent US9242996 (2016) BindingDB Entry DOI: 10.7270/Q2XP73RN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM204317 (US9242996, 396) Show SMILES CSc1cc(F)cc(c1)[C@@H](CO)NC(=O)c1ccc(cc1F)-c1nc(cnc1N)[C@H]1CC[C@H](O)CC1 |r,wU:29.31,wD:9.12,32.35,(6.67,-.77,;5.33,,;5.33,1.54,;6.67,2.31,;6.67,3.85,;8,4.62,;5.33,4.62,;4,3.85,;4,2.31,;2.67,4.62,;2.67,6.16,;4,6.93,;1.33,3.85,;,4.62,;,6.16,;-1.33,3.85,;-1.33,2.31,;-2.67,1.54,;-4,2.31,;-4,3.85,;-2.67,4.62,;-2.67,6.16,;-5.33,1.54,;-5.33,,;-6.67,-.77,;-8,,;-8,1.54,;-6.67,2.31,;-6.67,3.85,;-6.67,-2.31,;-5.33,-3.08,;-5.33,-4.62,;-6.67,-5.39,;-6.67,-6.93,;-8,-4.62,;-8,-3.08,)| Show InChI InChI=1S/C26H28F2N4O3S/c1-36-19-9-16(8-17(27)11-19)23(13-33)32-26(35)20-7-4-15(10-21(20)28)24-25(29)30-12-22(31-24)14-2-5-18(34)6-3-14/h4,7-12,14,18,23,33-34H,2-3,5-6,13H2,1H3,(H2,29,30)(H,32,35)/t14-,18-,23-/m1/s1	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	0.0198	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...				US Patent US9242996 (2016) BindingDB Entry DOI: 10.7270/Q2XP73RN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM204166 (US9242996, 240) Show SMILES Cn1cc(cn1)-c1cnc(N)c(c1)-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(CF)c2)c(F)c1 |r| Show InChI InChI=1S/C25H22F3N5O2/c1-33-12-18(11-31-33)17-7-21(24(29)30-10-17)15-2-3-20(22(28)8-15)25(35)32-23(13-34)16-4-14(9-26)5-19(27)6-16/h2-8,10-12,23,34H,9,13H2,1H3,(H2,29,30)(H,32,35)/t23-/m1/s1	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	0.0199	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...				US Patent US9242996 (2016) BindingDB Entry DOI: 10.7270/Q2XP73RN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM204335 (US9242996, 414) Show SMILES NC[C@@H](NC(=O)c1ccc(cc1F)-c1nc(cnc1N)C1CCOCC1)c1cccc(Br)c1 |r| Show InChI InChI=1S/C24H25BrFN5O2/c25-17-3-1-2-15(10-17)20(12-27)31-24(32)18-5-4-16(11-19(18)26)22-23(28)29-13-21(30-22)14-6-8-33-9-7-14/h1-5,10-11,13-14,20H,6-9,12,27H2,(H2,28,29)(H,31,32)/t20-/m1/s1	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	0.0200	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG US Patent					Assay Description Compound potency against activated ERK2 was determined using a kinase assay that measures ERK2-catalyzed phosphorylation of biotinylated ERKtide pept...				US Patent US9242996 (2016) BindingDB Entry DOI: 10.7270/Q2XP73RN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM365148 (N-(1-methyl-1H-pyrazol-5- yl)-4-(9-((4-(trifluorom...) Show SMILES Cn1nccc1Nc1nccc(n1)-c1cc2OCCC(Cn3cc(cn3)C(F)(F)F)c3nnc(c1)n23 Show InChI InChI=1S/C22H19F3N10O/c1-33-17(3-6-27-33)30-21-26-5-2-16(29-21)14-8-18-31-32-20-13(4-7-36-19(9-14)35(18)20)11-34-12-15(10-28-34)22(23,24)25/h2-3,5-6,8-10,12-13H,4,7,11H2,1H3,(H,26,29,30)	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	<0.0200	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...				J Med Chem 51: 5009-18 (2008) BindingDB Entry DOI: 10.7270/Q23X88ZR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM365149 (9-(2-fluoro-4- methoxybenzyl)-6-methyl-4- (2-((1-m...) Show SMILES COc1ccc(C[C@@H]2CC(=O)N(C)c3cc(cc4nnc2n34)-c2ccnc(Nc3ccnn3C)c2)c(F)c1 |r| Show InChI InChI=1S/C27H25FN8O2/c1-34-25-13-18(16-6-8-29-22(11-16)31-23-7-9-30-35(23)2)12-24-32-33-27(36(24)25)19(14-26(34)37)10-17-4-5-20(38-3)15-21(17)28/h4-9,11-13,15,19H,10,14H2,1-3H3,(H,29,31)/t19-/m1/s1	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	<0.0200	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...				J Med Chem 51: 5009-18 (2008) BindingDB Entry DOI: 10.7270/Q23X88ZR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM365154 (4-(3-benzyl-4-methyl-3,4- dihydro-5-oxa-1,2,2a1- t...) Show SMILES C[C@H]1Oc2cc(cc3nnc([C@H]1Cc1ccccc1)n23)-c1ccnc(Nc2ccnn2C)n1 |r| Show InChI InChI=1S/C24H22N8O/c1-15-18(12-16-6-4-3-5-7-16)23-30-29-21-13-17(14-22(33-15)32(21)23)19-8-10-25-24(27-19)28-20-9-11-26-31(20)2/h3-11,13-15,18H,12H2,1-2H3,(H,25,27,28)/t15-,18+/m1/s1	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	<0.0200	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...				J Med Chem 51: 5009-18 (2008) BindingDB Entry DOI: 10.7270/Q23X88ZR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM383335 (4-(9-((5-chloropyridin-3- yl)oxy)-8,9-dihydro-7H-6...) Show SMILES Cn1nccc1Nc1nccc(n1)-c1cc2OCC[C@H](Oc3cncc(Cl)c3)c3nnc(c1)n23 |r| Show InChI InChI=1S/C22H18ClN9O2/c1-31-18(3-6-26-31)28-22-25-5-2-16(27-22)13-8-19-29-30-21-17(4-7-33-20(9-13)32(19)21)34-15-10-14(23)11-24-12-15/h2-3,5-6,8-12,17H,4,7H2,1H3,(H,25,27,28)/t17-/m0/s1	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	<0.0200	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...				J Med Chem 51: 5009-18 (2008) BindingDB Entry DOI: 10.7270/Q23X88ZR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM383337 (4-(9-((5-chloropyridin-3- yl)oxy)-8,9-dihydro-7H-6...) Show SMILES Cn1nccc1Nc1cc(ccn1)-c1cc2OCC[C@H](Oc3cncc(Cl)c3)c3nnc(c1)n23 |r| Show InChI InChI=1S/C23H19ClN8O2/c1-31-20(3-6-27-31)28-19-8-14(2-5-26-19)15-9-21-29-30-23-18(4-7-33-22(10-15)32(21)23)34-17-11-16(24)12-25-13-17/h2-3,5-6,8-13,18H,4,7H2,1H3,(H,26,28)/t18-/m0/s1	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	<0.0200	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...				J Med Chem 51: 5009-18 (2008) BindingDB Entry DOI: 10.7270/Q23X88ZR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM365161 (4-(3-(3-methoxybenzyl)-3,4- dihydro-5-oxa-1,2,2a1-...) Show SMILES COc1cccc(CC2COc3cc(cc4nnc2n34)-c2ccnc(Nc3ccnn3C)n2)c1 Show InChI InChI=1S/C24H22N8O2/c1-31-20(7-9-26-31)28-24-25-8-6-19(27-24)16-12-21-29-30-23-17(14-34-22(13-16)32(21)23)10-15-4-3-5-18(11-15)33-2/h3-9,11-13,17H,10,14H2,1-2H3,(H,25,27,28)	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	<0.0200	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...				J Med Chem 51: 5009-18 (2008) BindingDB Entry DOI: 10.7270/Q23X88ZR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM383345 (9-(2-fluoro-4- methoxybenzyl)-6-methyl-4- (2-((1-m...) Show SMILES COc1ccc(C[C@H]2CC(=O)N(C)c3cc(cc4nnc2n34)-c2ccnc(Nc3ccnn3C)n2)c(F)c1 |r| Show InChI InChI=1S/C26H24FN9O2/c1-34-23-12-16(20-6-8-28-26(30-20)31-21-7-9-29-35(21)2)11-22-32-33-25(36(22)23)17(13-24(34)37)10-15-4-5-18(38-3)14-19(15)27/h4-9,11-12,14,17H,10,13H2,1-3H3,(H,28,30,31)/t17-/m0/s1	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	<0.0200	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description Compounds were tested in an enzymatic assay using human ERK-2 (Mitogen Activated Kinase 1), recombinantly expressed as an n-terminal 6-His fusion pro...				J Med Chem 51: 5009-18 (2008) BindingDB Entry DOI: 10.7270/Q23X88ZR
					More data for this Ligand-Target Pair

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