Compile Data Set for Download or QSAR

Found 326 hits Enz. Inhib. hit(s) with all data for entry = 512   

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
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275221 (1-[(3R,4S)-1-methyl-4-(2- phenylethyl)pyrrolidin-3...) Show SMILES CN1C[C@H](CCc2ccccc2)[C@H](C1)NC(=O)Nc1cc2cnn(-c3ccnc(C)c3)c2cn1 |r| Show InChI InChI=1S/C26H29N7O/c1-18-12-22(10-11-27-18)33-24-15-28-25(13-21(24)14-29-33)31-26(34)30-23-17-32(2)16-20(23)9-8-19-6-4-3-5-7-19/h3-7,10-15,20,23H,8-9,16-17H2,1-2H3,(H2,28,30,31,34)/t20-,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	0.180	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275295 (1-[(3R,4S)-1-methyl-4-(5- methylthiophen-2-yl)pyrr...) Show SMILES CN1C[C@H](NC(=O)Nc2cc3cnn(-c4ccnc(C)c4)c3cn2)[C@H](C1)c1ccc(C)s1 |r| Show InChI InChI=1S/C23H25N7OS/c1-14-8-17(6-7-24-14)30-20-11-25-22(9-16(20)10-26-30)28-23(31)27-19-13-29(3)12-18(19)21-5-4-15(2)32-21/h4-11,18-19H,12-13H2,1-3H3,(H2,25,27,28,31)/t18-,19-/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	0.25	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275140 (1-[(3R,4S) or (3S, 4R)-1- methyl-4-(2- methylpheny...) Show SMILES CN1C[C@H](NC(=O)Nc2cc3cnn(-c4ccnc(C)c4)c3cn2)[C@H](C1)c1ccccc1C |r| Show InChI InChI=1S/C25H27N7O/c1-16-6-4-5-7-20(16)21-14-31(3)15-22(21)29-25(33)30-24-11-18-12-28-32(23(18)13-27-24)19-8-9-26-17(2)10-19/h4-13,21-22H,14-15H2,1-3H3,(H2,27,29,30,33)/t21-,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	0.280	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275404 (1-[(3R)-1-(2,6- difluorobenzyl)pyrrolidin-3- yl]-3...) Show SMILES Cc1cc(ccn1)-n1ncc2cc(NC(=O)N[C@@H]3CCN(Cc4c(F)cccc4F)C3)ncc12 |r| Show InChI InChI=1S/C24H23F2N7O/c1-15-9-18(5-7-27-15)33-22-12-28-23(10-16(22)11-29-33)31-24(34)30-17-6-8-32(13-17)14-19-20(25)3-2-4-21(19)26/h2-5,7,9-12,17H,6,8,13-14H2,1H3,(H2,28,30,31,34)/t17-/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	0.320	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275313 (1-[(1S)-2-hydroxy-2-methyl-1- phenylpropyl]-3[-1-(...) Show SMILES Cn1cc2cc(ccc2n1)-n1ncc2cc(NC(=O)N[C@@H](c3ccccc3)C(C)(C)O)ncc12 |r| Show InChI InChI=1S/C25H25N7O2/c1-25(2,34)23(16-7-5-4-6-8-16)29-24(33)28-22-12-17-13-27-32(21(17)14-26-22)19-9-10-20-18(11-19)15-31(3)30-20/h4-15,23,34H,1-3H3,(H2,26,28,29,33)/t23-/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	0.330	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275136 (N-{3-[({[1-(2- methylpyridin-4-yl)-1H- pyrazolo[3,...) Show SMILES Cc1cc(ccn1)-n1ncc2cc(NC(=O)NCc3cccc(NS(C)(=O)=O)c3)ncc12 Show InChI InChI=1S/C21H21N7O3S/c1-14-8-18(6-7-22-14)28-19-13-23-20(10-16(19)12-25-28)26-21(29)24-11-15-4-3-5-17(9-15)27-32(2,30)31/h3-10,12-13,27H,11H2,1-2H3,(H2,23,24,26,29)	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	0.440	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275207 (1-[(2S,3S,4R)-1,2-dimethyl- 4-(2-methylphenyl)- py...) Show SMILES C[C@H]1[C@@H](NC(=O)Nc2cc3cnn(-c4ccnc(C)c4)c3cn2)[C@@H](CN1C)c1ccccc1C |r| Show InChI InChI=1S/C26H29N7O/c1-16-7-5-6-8-21(16)22-15-32(4)18(3)25(22)31-26(34)30-24-12-19-13-29-33(23(19)14-28-24)20-9-10-27-17(2)11-20/h5-14,18,22,25H,15H2,1-4H3,(H2,28,30,31,34)/t18-,22-,25+/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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275145 (1-(3-chlorobenzyl)-3-(1- pyridin-4-yl-1H- pyrazolo...) Show SMILES Clc1cccc(CNC(=O)Nc2cc3cnn(-c4ccncc4)c3cn2)c1 Show InChI InChI=1S/C19H15ClN6O/c20-15-3-1-2-13(8-15)10-23-19(27)25-18-9-14-11-24-26(17(14)12-22-18)16-4-6-21-7-5-16/h1-9,11-12H,10H2,(H2,22,23,25,27)	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275297 (1-[1-(2-methylpyridin-4-yl)- 1H-pyrazolo[3,4-c]pyr...) Show SMILES CN1C[C@H](NC(=O)Nc2cc3cnn(-c4ccnc(C)c4)c3cn2)[C@H](C1)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C25H24F3N7O/c1-15-9-17(7-8-29-15)35-22-12-30-23(10-16(22)11-31-35)33-24(36)32-21-14-34(2)13-19(21)18-5-3-4-6-20(18)25(26,27)28/h3-12,19,21H,13-14H2,1-2H3,(H2,30,32,33,36)/t19-,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	0.510	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275162 (1-[(3R)-1-(2-fluoro-6- methoxybenzyl)piperidin-3- ...) Show SMILES COc1cccc(F)c1CN1CCC[C@H](C1)NC(=O)Nc1cc2cnn(-c3ccnc(C)c3)c2cn1 |r| Show InChI InChI=1S/C26H28FN7O2/c1-17-11-20(8-9-28-17)34-23-14-29-25(12-18(23)13-30-34)32-26(35)31-19-5-4-10-33(15-19)16-21-22(27)6-3-7-24(21)36-2/h3,6-9,11-14,19H,4-5,10,15-16H2,1-2H3,(H2,29,31,32,35)/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	0.520	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275413 ((S)-1-(2-methyl-2-hydroxy-1-phenylpropyl)-3-(1-(2-...) Show SMILES Cc1cc(ccn1)-n1ncc2cc(NC(=O)N[C@@H](c3ccccc3)C(C)(C)O)ncc12 |r| Show InChI InChI=1S/C23H24N6O2/c1-15-11-18(9-10-24-15)29-19-14-25-20(12-17(19)13-26-29)27-22(30)28-21(23(2,3)31)16-7-5-4-6-8-16/h4-14,21,31H,1-3H3,(H2,25,27,28,30)/t21-/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	0.560	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275314 (1-[1-(4-fluorophenyl)-1H- pyrazolo[3,4-c]pyridin-5...) Show SMILES CN1C[C@H](NC(=O)Nc2cc3cnn(-c4ccc(F)cc4)c3cn2)[C@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C24H23FN6O/c1-30-14-20(16-5-3-2-4-6-16)21(15-30)28-24(32)29-23-11-17-12-27-31(22(17)13-26-23)19-9-7-18(25)8-10-19/h2-13,20-21H,14-15H2,1H3,(H2,26,28,29,32)/t20-,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	0.580	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275196 (1-[(1S)-2-methoxy-1- phenylethyl]-3-[1-(2- methylp...) Show SMILES COC[C@@H](NC(=O)Nc1cc2cnn(-c3ccnc(C)c3)c2cn1)c1ccccc1 |r| Show InChI InChI=1S/C22H22N6O2/c1-15-10-18(8-9-23-15)28-20-13-24-21(11-17(20)12-25-28)27-22(29)26-19(14-30-2)16-6-4-3-5-7-16/h3-13,19H,14H2,1-2H3,(H2,24,26,27,29)/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	0.680	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275221 (1-[(3R,4S)-1-methyl-4-(2- phenylethyl)pyrrolidin-3...) Show SMILES CN1C[C@H](CCc2ccccc2)[C@H](C1)NC(=O)Nc1cc2cnn(-c3ccnc(C)c3)c2cn1 |r| Show InChI InChI=1S/C26H29N7O/c1-18-12-22(10-11-27-18)33-24-15-28-25(13-21(24)14-29-33)31-26(34)30-23-17-32(2)16-20(23)9-8-19-6-4-3-5-7-19/h3-7,10-15,20,23H,8-9,16-17H2,1-2H3,(H2,28,30,31,34)/t20-,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	0.690	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275307 (1-[(7S,8S)-5-methyl-8- phenyl-2-oxa-5- azaspiro[3....) Show SMILES CN1C[C@@H](NC(=O)Nc2cc3cnn(-c4ccnc(C)c4)c3cn2)[C@H](c2ccccc2)C11COC1 |r| Show InChI InChI=1S/C26H27N7O2/c1-17-10-20(8-9-27-17)33-22-13-28-23(11-19(22)12-29-33)31-25(34)30-21-14-32(2)26(15-35-16-26)24(21)18-6-4-3-5-7-18/h3-13,21,24H,14-16H2,1-2H3,(H2,28,30,31,34)/t21-,24+/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	0.690	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275293 (1-[(1S)-2-amino-1-phenylethyl]- 3-[1-(2-methylpyri...) Show SMILES Cc1cc(ccn1)-n1ncc2cc(NC(=O)N[C@H](CN)c3ccccc3)ncc12 |r| Show InChI InChI=1S/C21H21N7O/c1-14-9-17(7-8-23-14)28-19-13-24-20(10-16(19)12-25-28)27-21(29)26-18(11-22)15-5-3-2-4-6-15/h2-10,12-13,18H,11,22H2,1H3,(H2,24,26,27,29)/t18-/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	0.690	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275305 (1-[(3R,4S)-1-ethyl-4- phenylpyrrolidin-3-yl]-3-[1-...) Show SMILES CCN1C[C@H](NC(=O)Nc2cc3cnn(-c4ccnc(C)c4)c3cn2)[C@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C25H27N7O/c1-3-31-15-21(18-7-5-4-6-8-18)22(16-31)29-25(33)30-24-12-19-13-28-32(23(19)14-27-24)20-9-10-26-17(2)11-20/h4-14,21-22H,3,15-16H2,1-2H3,(H2,27,29,30,33)/t21-,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	0.720	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275241 (1-[(1S)-2-(1-methylethoxy)- 1-phenylethyl]-3-[1-(2...) Show SMILES CC(C)OC[C@@H](NC(=O)Nc1cc2cnn(-c3ccnc(C)c3)c2cn1)c1ccccc1 |r| Show InChI InChI=1S/C24H26N6O2/c1-16(2)32-15-21(18-7-5-4-6-8-18)28-24(31)29-23-12-19-13-27-30(22(19)14-26-23)20-9-10-25-17(3)11-20/h4-14,16,21H,15H2,1-3H3,(H2,26,28,29,31)/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	0.790	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275417 (1-[1-(4-fluorophenyl)-1H-pyrazolo[3,4- c]pyridin-5...) Show SMILES CC(C)(O)[C@@H](NC(=O)Nc1cc2cnn(-c3ccc(F)cc3)c2cn1)c1ccccc1 |r| Show InChI InChI=1S/C23H22FN5O2/c1-23(2,31)21(15-6-4-3-5-7-15)28-22(30)27-20-12-16-13-26-29(19(16)14-25-20)18-10-8-17(24)9-11-18/h3-14,21,31H,1-2H3,(H2,25,27,28,30)/t21-/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	0.810	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275195 (1-[(1R)-3-hydroxy-1- phenylpropyl]-3-[1-(2- methyl...) Show SMILES Cc1cc(ccn1)-n1ncc2cc(NC(=O)N[C@H](CCO)c3ccccc3)ncc12 |r| Show InChI InChI=1S/C22H22N6O2/c1-15-11-18(7-9-23-15)28-20-14-24-21(12-17(20)13-25-28)27-22(30)26-19(8-10-29)16-5-3-2-4-6-16/h2-7,9,11-14,19,29H,8,10H2,1H3,(H2,24,26,27,30)/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	0.820	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275163 (1-(1-methyl-4- phenylpyrrolidin-3-yl)-3-[1- (2-met...) Show SMILES CN1CC(NC(=O)Nc2cc3cnn(-c4ccnc(C)c4)c3cn2)C(C1)c1ccccc1 Show InChI InChI=1S/C24H25N7O/c1-16-10-19(8-9-25-16)31-22-13-26-23(11-18(22)12-27-31)29-24(32)28-21-15-30(2)14-20(21)17-6-4-3-5-7-17/h3-13,20-21H,14-15H2,1-2H3,(H2,26,28,29,32)	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	0.820	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275140 (1-[(3R,4S) or (3S, 4R)-1- methyl-4-(2- methylpheny...) Show SMILES CN1C[C@H](NC(=O)Nc2cc3cnn(-c4ccnc(C)c4)c3cn2)[C@H](C1)c1ccccc1C |r| Show InChI InChI=1S/C25H27N7O/c1-16-6-4-5-7-20(16)21-14-31(3)15-22(21)29-25(33)30-24-11-18-12-28-32(23(18)13-27-24)19-8-9-26-17(2)10-19/h4-13,21-22H,14-15H2,1-3H3,(H2,27,29,30,33)/t21-,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	0.830	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275117 (1-(3,4-dichlorobenzyl)-3-(1- pyridin-4-yl-1H-pyraz...) Show SMILES Clc1ccc(CNC(=O)Nc2cc3cnn(-c4ccncc4)c3cn2)cc1Cl Show InChI InChI=1S/C19H14Cl2N6O/c20-15-2-1-12(7-16(15)21)9-24-19(28)26-18-8-13-10-25-27(17(13)11-23-18)14-3-5-22-6-4-14/h1-8,10-11H,9H2,(H2,23,24,26,28)	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	0.900	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275147 (1-[(1R)-1-(3- chlorophenyl)ethyl]-3-[1-(2- methylp...) Show SMILES C[C@@H](NC(=O)Nc1cc2cnn(-c3ccnc(C)c3)c2cn1)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C21H19ClN6O/c1-13-8-18(6-7-23-13)28-19-12-24-20(10-16(19)11-25-28)27-21(29)26-14(2)15-4-3-5-17(22)9-15/h3-12,14H,1-2H3,(H2,24,26,27,29)/t14-/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	0.950	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275121 (1-[(3R,4S)-4-(2- chlorophenyl)-1- methylpyrrolidin...) Show SMILES CN1C[C@H](NC(=O)Nc2cc3cnn(-c4ccnc(C)c4)c3cn2)[C@H](C1)c1ccccc1Cl |r| Show InChI InChI=1S/C24H24ClN7O/c1-15-9-17(7-8-26-15)32-22-12-27-23(10-16(22)11-28-32)30-24(33)29-21-14-31(2)13-19(21)18-5-3-4-6-20(18)25/h3-12,19,21H,13-14H2,1-2H3,(H2,27,29,30,33)/t19-,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	0.950	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275168 (1-(2-amino-1-phenylethyl)- 3-[1-(2-methylpyridin-4...) Show SMILES Cc1cc(ccn1)-n1ncc2cc(NC(=O)NC(CN)c3ccccc3)ncc12 Show InChI InChI=1S/C21H21N7O/c1-14-9-17(7-8-23-14)28-19-13-24-20(10-16(19)12-25-28)27-21(29)26-18(11-22)15-5-3-2-4-6-15/h2-10,12-13,18H,11,22H2,1H3,(H2,24,26,27,29)	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	0.960	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275287 (1-((3S,4R)1-methyl-4-phenyl- pyrrolidin-3-yl)-3-[1...) Show SMILES CN1CC(NC(=O)Nc2cc3cnn(-c4ccnc(C)c4)c3cn2)[C@@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C24H25N7O/c1-16-10-19(8-9-25-16)31-22-13-26-23(11-18(22)12-27-31)29-24(32)28-21-15-30(2)14-20(21)17-6-4-3-5-7-17/h3-13,20-21H,14-15H2,1-2H3,(H2,26,28,29,32)/t20-,21?/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	0.980	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275312 (1-[(1S)-2-hydroxy-2-methyl-1- phenylpropyl]-3-[1-(...) Show SMILES Cn1ncc2ccc(cc12)-n1ncc2cc(NC(=O)N[C@@H](c3ccccc3)C(C)(C)O)ncc12 |r| Show InChI InChI=1S/C25H25N7O2/c1-25(2,34)23(16-7-5-4-6-8-16)30-24(33)29-22-11-18-14-28-32(21(18)15-26-22)19-10-9-17-13-27-31(3)20(17)12-19/h4-15,23,34H,1-3H3,(H2,26,29,30,33)/t23-/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	0.990	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275392 (1-[1-(2,6- difluorobenzyl)pyrrolidin-3- yl]-3-[1-(...) Show SMILES Cc1cc(ccn1)-n1ncc2cc(NC(=O)NC3CCN(Cc4c(F)cccc4F)C3)ncc12 Show InChI InChI=1S/C24H23F2N7O/c1-15-9-18(5-7-27-15)33-22-12-28-23(10-16(22)11-29-33)31-24(34)30-17-6-8-32(13-17)14-19-20(25)3-2-4-21(19)26/h2-5,7,9-12,17H,6,8,13-14H2,1H3,(H2,28,30,31,34)	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	1	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275230 (1-[(3S,4R)-1-methyl-4-(5- methylthiophen-2- yl)pyr...) Show SMILES CN1C[C@@H](NC(=O)Nc2cc3cnn(-c4ccnc(C)c4)c3cn2)[C@@H](C1)c1ccc(C)s1 |r| Show InChI InChI=1S/C23H25N7OS/c1-14-8-17(6-7-24-14)30-20-11-25-22(9-16(20)10-26-30)28-23(31)27-19-13-29(3)12-18(19)21-5-4-15(2)32-21/h4-11,18-19H,12-13H2,1-3H3,(H2,25,27,28,31)/t18-,19-/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	1.01	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275165 (1-[1-(2-methylpyridin-4-yl)- 1H-pyrazolo[3,4-c]pyr...) Show SMILES C[C@@H](NC(=O)Nc1cc2cnn(-c3ccnc(C)c3)c2cn1)c1ccccc1 |r| Show InChI InChI=1S/C21H20N6O/c1-14-10-18(8-9-22-14)27-19-13-23-20(11-17(19)12-24-27)26-21(28)25-15(2)16-6-4-3-5-7-16/h3-13,15H,1-2H3,(H2,23,25,26,28)/t15-/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	1.01	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275171 (1-[(1S)-2-hydroxy-1- phenylethyl]-3-[1-(2- methylp...) Show SMILES Cc1cc(ccn1)-n1ncc2cc(NC(=O)N[C@H](CO)c3ccccc3)ncc12 |r| Show InChI InChI=1S/C21H20N6O2/c1-14-9-17(7-8-22-14)27-19-12-23-20(10-16(19)11-24-27)26-21(29)25-18(13-28)15-5-3-2-4-6-15/h2-12,18,28H,13H2,1H3,(H2,23,25,26,29)/t18-/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	1.02	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275418 ((S)-1-(2-hydroxy-1-phenylpropyl)-3-(1-(2-methylpyr...) Show SMILES CC(O)[C@@H](NC(=O)Nc1cc2cnn(-c3ccnc(C)c3)c2cn1)c1ccccc1 |r| Show InChI InChI=1S/C22H22N6O2/c1-14-10-18(8-9-23-14)28-19-13-24-20(11-17(19)12-25-28)26-22(30)27-21(15(2)29)16-6-4-3-5-7-16/h3-13,15,21,29H,1-2H3,(H2,24,26,27,30)/t15?,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	1.06	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275415 (1-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2- methylprop...) Show SMILES Cc1cc(ccn1)-n1ncc2cc(NC(=O)N[C@@H](c3ccc(F)cc3)C(C)(C)O)ncc12 |r| Show InChI InChI=1S/C23H23FN6O2/c1-14-10-18(8-9-25-14)30-19-13-26-20(11-16(19)12-27-30)28-22(31)29-21(23(2,3)32)15-4-6-17(24)7-5-15/h4-13,21,32H,1-3H3,(H2,26,28,29,31)/t21-/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	1.08	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275235 (1-[(1S)-2-ethoxy-1- phenylethyl]-3-[1-(2- methylpy...) Show SMILES CCOC[C@@H](NC(=O)Nc1cc2cnn(-c3ccnc(C)c3)c2cn1)c1ccccc1 |r| Show InChI InChI=1S/C23H24N6O2/c1-3-31-15-20(17-7-5-4-6-8-17)27-23(30)28-22-12-18-13-26-29(21(18)14-25-22)19-9-10-24-16(2)11-19/h4-14,20H,3,15H2,1-2H3,(H2,25,27,28,30)/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	1.09	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275248 ((2S)-N-methyl-2-({[1-(2- methylpyridin-4-yl)-1H- p...) Show SMILES CNC(=O)[C@@H](NC(=O)Nc1cc2cnn(-c3ccnc(C)c3)c2cn1)c1ccccc1 |r| Show InChI InChI=1S/C22H21N7O2/c1-14-10-17(8-9-24-14)29-18-13-25-19(11-16(18)12-26-29)27-22(31)28-20(21(30)23-2)15-6-4-3-5-7-15/h3-13,20H,1-2H3,(H,23,30)(H2,25,27,28,31)/t20-/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	1.09	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275270 (1-[(3R,4S)-4-(5- cyclopropylthiophen-2-yl)- 1-meth...) Show SMILES CN1C[C@H](NC(=O)Nc2cc3cnn(-c4ccnc(C)c4)c3cn2)[C@H](C1)c1ccc(s1)C1CC1 |r| Show InChI InChI=1S/C25H27N7OS/c1-15-9-18(7-8-26-15)32-21-12-27-24(10-17(21)11-28-32)30-25(33)29-20-14-31(2)13-19(20)23-6-5-22(34-23)16-3-4-16/h5-12,16,19-20H,3-4,13-14H2,1-2H3,(H2,27,29,30,33)/t19-,20-/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	1.13	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275209 (1-[1-(2-methylpyridin-4-yl)- 1H-pyrazolo[3,4-c]pyr...) Show SMILES CN1C[C@@H](NC(=O)Nc2cc3cnn(-c4ccnc(C)c4)c3cn2)[C@H](c2ccccc2C)C1(C)C |r| Show InChI InChI=1S/C27H31N7O/c1-17-8-6-7-9-21(17)25-22(16-33(5)27(25,3)4)31-26(35)32-24-13-19-14-30-34(23(19)15-29-24)20-10-11-28-18(2)12-20/h6-15,22,25H,16H2,1-5H3,(H2,29,31,32,35)/t22-,25+/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	1.14	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275255 (1-[(3R,4S)-1-methyl-4-(3- phenylpropyl)pyrrolidin-...) Show SMILES CN1C[C@H](CCCc2ccccc2)[C@H](C1)NC(=O)Nc1cc2cnn(-c3ccnc(C)c3)c2cn1 |r| Show InChI InChI=1S/C27H31N7O/c1-19-13-23(11-12-28-19)34-25-16-29-26(14-22(25)15-30-34)32-27(35)31-24-18-33(2)17-21(24)10-6-9-20-7-4-3-5-8-20/h3-5,7-8,11-16,21,24H,6,9-10,17-18H2,1-2H3,(H2,29,31,32,35)/t21-,24-/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	1.18	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275416 (1-[(1S)-1-(4-fluorophenyl)-2-hydroxy-2- methylprop...) Show SMILES CC(C)(O)[C@@H](NC(=O)Nc1cc2cnn(-c3ccc(F)cc3)c2cn1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C23H21F2N5O2/c1-23(2,32)21(14-3-5-16(24)6-4-14)29-22(31)28-20-11-15-12-27-30(19(15)13-26-20)18-9-7-17(25)8-10-18/h3-13,21,32H,1-2H3,(H2,26,28,29,31)/t21-/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	1.29	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275199 (1-[1-(2-methylpyridin-4-yl)- 1H-pyrazolo[3,4-c]pyr...) Show SMILES Cc1cc(ccn1)-n1ncc2cc(NC(=O)NCc3cccc(c3)S(C)(=O)=O)ncc12 Show InChI InChI=1S/C21H20N6O3S/c1-14-8-17(6-7-22-14)27-19-13-23-20(10-16(19)12-25-27)26-21(28)24-11-15-4-3-5-18(9-15)31(2,29)30/h3-10,12-13H,11H2,1-2H3,(H2,23,24,26,28)	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	1.44	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275212 (1-[(3S,4S,5R)-1,5-dimethyl- 4-(2-methylphenyl)- py...) Show SMILES C[C@@H]1[C@H]([C@@H](CN1C)NC(=O)Nc1cc2cnn(-c3ccnc(C)c3)c2cn1)c1ccccc1C |r| Show InChI InChI=1S/C26H29N7O/c1-16-7-5-6-8-21(16)25-18(3)32(4)15-22(25)30-26(34)31-24-12-19-13-29-33(23(19)14-28-24)20-9-10-27-17(2)11-20/h5-14,18,22,25H,15H2,1-4H3,(H2,28,30,31,34)/t18-,22-,25+/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	1.52	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275139 (1-[1-(2-methyl-2H-indazol- 5-yl)-1H-pyrazolo[3,4- ...) Show SMILES Cn1cc2cc(ccc2n1)-n1ncc2cc(NC(=O)NC(c3cnco3)c3ccccc3)ncc12 Show InChI InChI=1S/C25H20N8O2/c1-32-14-18-9-19(7-8-20(18)31-32)33-21-12-27-23(10-17(21)11-28-33)29-25(34)30-24(22-13-26-15-35-22)16-5-3-2-4-6-16/h2-15,24H,1H3,(H2,27,29,30,34)	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	1.56	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275204 (1-(3-isoxazol-3-ylbenzyl)-3- [1-(2-methylpyridin-4...) Show SMILES Cc1cc(ccn1)-n1ncc2cc(NC(=O)NCc3cccc(c3)-c3ccon3)ncc12 Show InChI InChI=1S/C23H19N7O2/c1-15-9-19(5-7-24-15)30-21-14-25-22(11-18(21)13-27-30)28-23(31)26-12-16-3-2-4-17(10-16)20-6-8-32-29-20/h2-11,13-14H,12H2,1H3,(H2,25,26,28,31)	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	1.68	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275109 (1-(4-fluorobenzyl)-3-(1-pyridin-4- yl-1H-pyrazolo[...) Show SMILES Fc1ccc(CNC(=O)Nc2cc3cnn(-c4ccncc4)c3cn2)cc1 Show InChI InChI=1S/C19H15FN6O/c20-15-3-1-13(2-4-15)10-23-19(27)25-18-9-14-11-24-26(17(14)12-22-18)16-5-7-21-8-6-16/h1-9,11-12H,10H2,(H2,22,23,25,27)	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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275122 (1-[1-(2-methylpyridin-4-yl)- 1H-pyrazolo[3,4-c]pyr...) Show SMILES Cc1cc(ccn1)-n1ncc2cc(NC(=O)N[C@H]3COC[C@@H]3c3ccccc3)ncc12 |r| Show InChI InChI=1S/C23H22N6O2/c1-15-9-18(7-8-24-15)29-21-12-25-22(10-17(21)11-26-29)28-23(30)27-20-14-31-13-19(20)16-5-3-2-4-6-16/h2-12,19-20H,13-14H2,1H3,(H2,25,27,28,30)/t19-,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	1.83	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275123 (1-[(3R,4S)-4-(3-chloro-4- fluorophenyl)-1- methylp...) Show SMILES CN1C[C@H](NC(=O)Nc2cc3cnn(-c4ccnc(C)c4)c3cn2)[C@H](C1)c1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C24H23ClFN7O/c1-14-7-17(5-6-27-14)33-22-11-28-23(9-16(22)10-29-33)31-24(34)30-21-13-32(2)12-18(21)15-3-4-20(26)19(25)8-15/h3-11,18,21H,12-13H2,1-2H3,(H2,28,30,31,34)/t18-,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	2.14	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275220 (1-[(5-methyl-3-phenyl- isoxazol-4-yl)methyl]-3-[1-...) Show SMILES Cc1onc(c1CNC(=O)Nc1cc2cnn(-c3ccnc(C)c3)c2cn1)-c1ccccc1 Show InChI InChI=1S/C24H21N7O2/c1-15-10-19(8-9-25-15)31-21-14-26-22(11-18(21)12-28-31)29-24(32)27-13-20-16(2)33-30-23(20)17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3,(H2,26,27,29,32)	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	2.14	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275211 (1-[(3S,4S,5S)-1,5-dimethyl- 4-(2-methylphenyl)- py...) Show SMILES C[C@H]1[C@H]([C@@H](CN1C)NC(=O)Nc1cc2cnn(-c3ccnc(C)c3)c2cn1)c1ccccc1C |r| Show InChI InChI=1S/C26H29N7O/c1-16-7-5-6-8-21(16)25-18(3)32(4)15-22(25)30-26(34)31-24-12-19-13-29-33(23(19)14-28-24)20-9-10-27-17(2)11-20/h5-14,18,22,25H,15H2,1-4H3,(H2,28,30,31,34)/t18-,22+,25-/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	2.15	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM275329 ((R)-1-(1-(4-fluorophenyl)ethyl)-3-(1-(2-methylpyri...) Show SMILES C[C@@H](NC(=O)Nc1cc2cnn(-c3ccnc(C)c3)c2cn1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C21H19FN6O/c1-13-9-18(7-8-23-13)28-19-12-24-20(10-16(19)11-25-28)27-21(29)26-14(2)15-3-5-17(22)6-4-15/h3-12,14H,1-2H3,(H2,24,26,27,29)/t14-/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	2.28	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Activated ERK2 activity was determined in an IMAP-FP assay (Molecular Devices). Using this assay format, the potency (IC50) of each compound was dete...				US Patent US9884048 (2018) BindingDB Entry DOI: 10.7270/Q29G5PT5
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 326 total )  |  Next  |  Last  >>

Jump to: