Compile Data Set for Download or QSAR

Found 178 hits with Last Name = 'witmer' and Initial = 'mr'   

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 14 (Homo sapiens (Human))	BDBM50492385 (CHEMBL2401994) Show SMILES Cc1ccc(cc1NC(=O)c1ccc(s1)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)NC1CC1 Show InChI InChI=1S/C27H27N3O4S/c1-17-2-3-20(25(31)28-21-8-9-21)16-22(17)29-26(32)24-11-10-23(35-24)18-4-6-19(7-5-18)27(33)30-12-14-34-15-13-30/h2-7,10-11,16,21H,8-9,12-15H2,1H3,(H,28,31)(H,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human p38alpha expressed in Escherichia coli using MBP as substrate preincubated for 10 mins prior to substrate addition measured after...				Bioorg Med Chem Lett 23: 4120-6 (2013) Article DOI: 10.1016/j.bmcl.2013.05.047 BindingDB Entry DOI: 10.7270/Q2FN193N
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM50151366 ((2-Chloro-6-methyl-phenyl)-[8-((S)-3-methyl-pipera...) Show SMILES C[C@H]1CN(CCN1)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2n1 Show InChI InChI=1S/C21H22ClN7/c1-13-4-3-5-15(22)19(13)27-20-17-10-23-12-29(17)21-16(25-20)6-7-18(26-21)28-9-8-24-14(2)11-28/h3-7,10,12,14,24H,8-9,11H2,1-2H3,(H,25,27)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>0.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of Lyn kinase				J Med Chem 47: 4517-29 (2004) Article DOI: 10.1021/jm030217e BindingDB Entry DOI: 10.7270/Q2R210VQ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14 (Homo sapiens (Human))	BDBM50492380 (CHEMBL2402001) Show SMILES Cc1ccc(cn1)-c1ccc(s1)C(=O)Nc1cc(ccc1C)C(=O)NC1CC1 Show InChI InChI=1S/C22H21N3O2S/c1-13-3-5-15(21(26)24-17-7-8-17)11-18(13)25-22(27)20-10-9-19(28-20)16-6-4-14(2)23-12-16/h3-6,9-12,17H,7-8H2,1-2H3,(H,24,26)(H,25,27)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.720	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of p38 MAPK-mediated TNFalpha production in LPS-induced human whole blood preincubated for 5 mins prior to LPS-treatment measured after 6 ...				Bioorg Med Chem Lett 23: 4120-6 (2013) Article DOI: 10.1016/j.bmcl.2013.05.047 BindingDB Entry DOI: 10.7270/Q2FN193N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50492384 (CHEMBL2401995) Show SMILES Cc1ccc(cc1NC(=O)c1ccc(s1)-c1ccc(cc1)C(=O)N1CCCCC1)C(=O)NC1CC1 Show InChI InChI=1S/C28H29N3O3S/c1-18-5-6-21(26(32)29-22-11-12-22)17-23(18)30-27(33)25-14-13-24(35-25)19-7-9-20(10-8-19)28(34)31-15-3-2-4-16-31/h5-10,13-14,17,22H,2-4,11-12,15-16H2,1H3,(H,29,32)(H,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human p38alpha expressed in Escherichia coli using MBP as substrate preincubated for 10 mins prior to substrate addition measured after...				Bioorg Med Chem Lett 23: 4120-6 (2013) Article DOI: 10.1016/j.bmcl.2013.05.047 BindingDB Entry DOI: 10.7270/Q2FN193N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14 (Homo sapiens (Human))	BDBM50492375 (CHEMBL2401997) Show SMILES Cc1ccc(cc1NC(=O)c1ccc(s1)-c1cccnc1)C(=O)NC1CC1 Show InChI InChI=1S/C21H19N3O2S/c1-13-4-5-14(20(25)23-16-6-7-16)11-17(13)24-21(26)19-9-8-18(27-19)15-3-2-10-22-12-15/h2-5,8-12,16H,6-7H2,1H3,(H,23,25)(H,24,26)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of p38 MAPK-mediated TNFalpha production in LPS-induced human whole blood preincubated for 5 mins prior to LPS-treatment measured after 6 ...				Bioorg Med Chem Lett 23: 4120-6 (2013) Article DOI: 10.1016/j.bmcl.2013.05.047 BindingDB Entry DOI: 10.7270/Q2FN193N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50492382 (CHEMBL2401981) Show SMILES Cc1ccc(cc1NC(=O)c1ccc(s1)-c1ccc(Cl)cc1)C(=O)NC1CC1 Show InChI InChI=1S/C22H19ClN2O2S/c1-13-2-3-15(21(26)24-17-8-9-17)12-18(13)25-22(27)20-11-10-19(28-20)14-4-6-16(23)7-5-14/h2-7,10-12,17H,8-9H2,1H3,(H,24,26)(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human p38alpha expressed in Escherichia coli using MBP as substrate preincubated for 10 mins prior to substrate addition measured after...				Bioorg Med Chem Lett 23: 4120-6 (2013) Article DOI: 10.1016/j.bmcl.2013.05.047 BindingDB Entry DOI: 10.7270/Q2FN193N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 11 (Homo sapiens (Human))	BDBM50236473 ((R)-2-(sec-butylamino)-N-(2-methyl-5-(methylcarbam...) Show SMILES CC[C@@H](C)Nc1ncc(s1)C(=O)Nc1cc(ccc1C)C(=O)NC Show InChI InChI=1S/C17H22N4O2S/c1-5-11(3)20-17-19-9-14(24-17)16(23)21-13-8-12(15(22)18-4)7-6-10(13)2/h6-9,11H,5H2,1-4H3,(H,18,22)(H,19,20)(H,21,23)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human p38beta expressed in Escherichia coli using MBP as substrate preincubated for 10 mins prior to substrate addition measured after ...				Bioorg Med Chem Lett 23: 4120-6 (2013) Article DOI: 10.1016/j.bmcl.2013.05.047 BindingDB Entry DOI: 10.7270/Q2FN193N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 11 (Homo sapiens (Human))	BDBM50236473 ((R)-2-(sec-butylamino)-N-(2-methyl-5-(methylcarbam...) Show SMILES CC[C@@H](C)Nc1ncc(s1)C(=O)Nc1cc(ccc1C)C(=O)NC Show InChI InChI=1S/C17H22N4O2S/c1-5-11(3)20-17-19-9-14(24-17)16(23)21-13-8-12(15(22)18-4)7-6-10(13)2/h6-9,11H,5H2,1-4H3,(H,18,22)(H,19,20)(H,21,23)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of p38beta (unknown origin)				Bioorg Med Chem Lett 23: 4120-6 (2013) Article DOI: 10.1016/j.bmcl.2013.05.047 BindingDB Entry DOI: 10.7270/Q2FN193N
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Fgr (Homo sapiens (Human))	BDBM50151366 ((2-Chloro-6-methyl-phenyl)-[8-((S)-3-methyl-pipera...) Show SMILES C[C@H]1CN(CCN1)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2n1 Show InChI InChI=1S/C21H22ClN7/c1-13-4-3-5-15(22)19(13)27-20-17-10-23-12-29(17)21-16(25-20)6-7-18(26-21)28-9-8-24-14(2)11-28/h3-7,10,12,14,24H,8-9,11H2,1-2H3,(H,25,27)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of Fgr protein kinase				J Med Chem 47: 4517-29 (2004) Article DOI: 10.1021/jm030217e BindingDB Entry DOI: 10.7270/Q2R210VQ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50492376 (CHEMBL2402000) Show SMILES Cc1ccc(cc1NC(=O)c1ccc(s1)-c1cnccc1N1CCOCC1)C(=O)NC1CC1 Show InChI InChI=1S/C25H26N4O3S/c1-16-2-3-17(24(30)27-18-4-5-18)14-20(16)28-25(31)23-7-6-22(33-23)19-15-26-9-8-21(19)29-10-12-32-13-11-29/h2-3,6-9,14-15,18H,4-5,10-13H2,1H3,(H,27,30)(H,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human p38alpha expressed in Escherichia coli using MBP as substrate preincubated for 10 mins prior to substrate addition measured after...				Bioorg Med Chem Lett 23: 4120-6 (2013) Article DOI: 10.1016/j.bmcl.2013.05.047 BindingDB Entry DOI: 10.7270/Q2FN193N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50492379 (CHEMBL2401993) Show SMILES CN(C)C(=O)c1ccc(cc1)-c1ccc(s1)C(=O)Nc1cc(ccc1C)C(=O)NC1CC1 Show InChI InChI=1S/C25H25N3O3S/c1-15-4-5-18(23(29)26-19-10-11-19)14-20(15)27-24(30)22-13-12-21(32-22)16-6-8-17(9-7-16)25(31)28(2)3/h4-9,12-14,19H,10-11H2,1-3H3,(H,26,29)(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human p38alpha expressed in Escherichia coli using MBP as substrate preincubated for 10 mins prior to substrate addition measured after...				Bioorg Med Chem Lett 23: 4120-6 (2013) Article DOI: 10.1016/j.bmcl.2013.05.047 BindingDB Entry DOI: 10.7270/Q2FN193N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50492392 (CHEMBL2401985) Show SMILES Cc1ccc(cc1NC(=O)c1ccc(s1)-c1ccc(cc1)C(F)(F)F)C(=O)NC1CC1 Show InChI InChI=1S/C23H19F3N2O2S/c1-13-2-3-15(21(29)27-17-8-9-17)12-18(13)28-22(30)20-11-10-19(31-20)14-4-6-16(7-5-14)23(24,25)26/h2-7,10-12,17H,8-9H2,1H3,(H,27,29)(H,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human p38alpha expressed in Escherichia coli using MBP as substrate preincubated for 10 mins prior to substrate addition measured after...				Bioorg Med Chem Lett 23: 4120-6 (2013) Article DOI: 10.1016/j.bmcl.2013.05.047 BindingDB Entry DOI: 10.7270/Q2FN193N
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50151366 ((2-Chloro-6-methyl-phenyl)-[8-((S)-3-methyl-pipera...) Show SMILES C[C@H]1CN(CCN1)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2n1 Show InChI InChI=1S/C21H22ClN7/c1-13-4-3-5-15(22)19(13)27-20-17-10-23-12-29(17)21-16(25-20)6-7-18(26-21)28-9-8-24-14(2)11-28/h3-7,10,12,14,24H,8-9,11H2,1-2H3,(H,25,27)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of Src kinase				J Med Chem 47: 4517-29 (2004) Article DOI: 10.1021/jm030217e BindingDB Entry DOI: 10.7270/Q2R210VQ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50236473 ((R)-2-(sec-butylamino)-N-(2-methyl-5-(methylcarbam...) Show SMILES CC[C@@H](C)Nc1ncc(s1)C(=O)Nc1cc(ccc1C)C(=O)NC Show InChI InChI=1S/C17H22N4O2S/c1-5-11(3)20-17-19-9-14(24-17)16(23)21-13-8-12(15(22)18-4)7-6-10(13)2/h6-9,11H,5H2,1-4H3,(H,18,22)(H,19,20)(H,21,23)/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human p38alpha expressed in Escherichia coli using MBP as substrate preincubated for 10 mins prior to substrate addition measured after...				Bioorg Med Chem Lett 23: 4120-6 (2013) Article DOI: 10.1016/j.bmcl.2013.05.047 BindingDB Entry DOI: 10.7270/Q2FN193N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50492386 (CHEMBL2401979) Show SMILES Cc1c(cnn1-c1ncccc1C(F)(F)F)C(=O)Nc1cc(ccc1C)C(=O)NC1CC1 Show InChI InChI=1S/C22H20F3N5O2/c1-12-5-6-14(20(31)28-15-7-8-15)10-18(12)29-21(32)16-11-27-30(13(16)2)19-17(22(23,24)25)4-3-9-26-19/h3-6,9-11,15H,7-8H2,1-2H3,(H,28,31)(H,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of p38alpha (unknown origin)				Bioorg Med Chem Lett 23: 4120-6 (2013) Article DOI: 10.1016/j.bmcl.2013.05.047 BindingDB Entry DOI: 10.7270/Q2FN193N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50492386 (CHEMBL2401979) Show SMILES Cc1c(cnn1-c1ncccc1C(F)(F)F)C(=O)Nc1cc(ccc1C)C(=O)NC1CC1 Show InChI InChI=1S/C22H20F3N5O2/c1-12-5-6-14(20(31)28-15-7-8-15)10-18(12)29-21(32)16-11-27-30(13(16)2)19-17(22(23,24)25)4-3-9-26-19/h3-6,9-11,15H,7-8H2,1-2H3,(H,28,31)(H,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human p38alpha expressed in Escherichia coli using MBP as substrate preincubated for 10 mins prior to substrate addition measured after...				Bioorg Med Chem Lett 23: 4120-6 (2013) Article DOI: 10.1016/j.bmcl.2013.05.047 BindingDB Entry DOI: 10.7270/Q2FN193N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50492378 (CHEMBL2401988) Show SMILES Cc1ccc(cc1NC(=O)c1ccc(s1)-c1ccc(N)cc1)C(=O)NC1CC1 Show InChI InChI=1S/C22H21N3O2S/c1-13-2-3-15(21(26)24-17-8-9-17)12-18(13)25-22(27)20-11-10-19(28-20)14-4-6-16(23)7-5-14/h2-7,10-12,17H,8-9,23H2,1H3,(H,24,26)(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human p38alpha expressed in Escherichia coli using MBP as substrate preincubated for 10 mins prior to substrate addition measured after...				Bioorg Med Chem Lett 23: 4120-6 (2013) Article DOI: 10.1016/j.bmcl.2013.05.047 BindingDB Entry DOI: 10.7270/Q2FN193N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50236473 ((R)-2-(sec-butylamino)-N-(2-methyl-5-(methylcarbam...) Show SMILES CC[C@@H](C)Nc1ncc(s1)C(=O)Nc1cc(ccc1C)C(=O)NC Show InChI InChI=1S/C17H22N4O2S/c1-5-11(3)20-17-19-9-14(24-17)16(23)21-13-8-12(15(22)18-4)7-6-10(13)2/h6-9,11H,5H2,1-4H3,(H,18,22)(H,19,20)(H,21,23)/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of p38alpha (unknown origin)				Bioorg Med Chem Lett 23: 4120-6 (2013) Article DOI: 10.1016/j.bmcl.2013.05.047 BindingDB Entry DOI: 10.7270/Q2FN193N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 11 (Homo sapiens (Human))	BDBM50492386 (CHEMBL2401979) Show SMILES Cc1c(cnn1-c1ncccc1C(F)(F)F)C(=O)Nc1cc(ccc1C)C(=O)NC1CC1 Show InChI InChI=1S/C22H20F3N5O2/c1-12-5-6-14(20(31)28-15-7-8-15)10-18(12)29-21(32)16-11-27-30(13(16)2)19-17(22(23,24)25)4-3-9-26-19/h3-6,9-11,15H,7-8H2,1-2H3,(H,28,31)(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human p38beta expressed in Escherichia coli using MBP as substrate preincubated for 10 mins prior to substrate addition measured after ...				Bioorg Med Chem Lett 23: 4120-6 (2013) Article DOI: 10.1016/j.bmcl.2013.05.047 BindingDB Entry DOI: 10.7270/Q2FN193N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 11 (Homo sapiens (Human))	BDBM50492386 (CHEMBL2401979) Show SMILES Cc1c(cnn1-c1ncccc1C(F)(F)F)C(=O)Nc1cc(ccc1C)C(=O)NC1CC1 Show InChI InChI=1S/C22H20F3N5O2/c1-12-5-6-14(20(31)28-15-7-8-15)10-18(12)29-21(32)16-11-27-30(13(16)2)19-17(22(23,24)25)4-3-9-26-19/h3-6,9-11,15H,7-8H2,1-2H3,(H,28,31)(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of p38beta (unknown origin)				Bioorg Med Chem Lett 23: 4120-6 (2013) Article DOI: 10.1016/j.bmcl.2013.05.047 BindingDB Entry DOI: 10.7270/Q2FN193N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50492383 (CHEMBL2401989) Show SMILES COc1ccc(cc1)-c1ccc(s1)C(=O)Nc1cc(ccc1C)C(=O)NC1CC1 Show InChI InChI=1S/C23H22N2O3S/c1-14-3-4-16(22(26)24-17-7-8-17)13-19(14)25-23(27)21-12-11-20(29-21)15-5-9-18(28-2)10-6-15/h3-6,9-13,17H,7-8H2,1-2H3,(H,24,26)(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human p38alpha expressed in Escherichia coli using MBP as substrate preincubated for 10 mins prior to substrate addition measured after...				Bioorg Med Chem Lett 23: 4120-6 (2013) Article DOI: 10.1016/j.bmcl.2013.05.047 BindingDB Entry DOI: 10.7270/Q2FN193N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50492394 (CHEMBL2401987) Show SMILES Cc1ccc(cc1NC(=O)c1ccc(s1)-c1ccc(O)cc1)C(=O)NC1CC1 Show InChI InChI=1S/C22H20N2O3S/c1-13-2-3-15(21(26)23-16-6-7-16)12-18(13)24-22(27)20-11-10-19(28-20)14-4-8-17(25)9-5-14/h2-5,8-12,16,25H,6-7H2,1H3,(H,23,26)(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human p38alpha expressed in Escherichia coli using MBP as substrate preincubated for 10 mins prior to substrate addition measured after...				Bioorg Med Chem Lett 23: 4120-6 (2013) Article DOI: 10.1016/j.bmcl.2013.05.047 BindingDB Entry DOI: 10.7270/Q2FN193N
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Yes (Homo sapiens (Human))	BDBM50151366 ((2-Chloro-6-methyl-phenyl)-[8-((S)-3-methyl-pipera...) Show SMILES C[C@H]1CN(CCN1)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2n1 Show InChI InChI=1S/C21H22ClN7/c1-13-4-3-5-15(22)19(13)27-20-17-10-23-12-29(17)21-16(25-20)6-7-18(26-21)28-9-8-24-14(2)11-28/h3-7,10,12,14,24H,8-9,11H2,1-2H3,(H,25,27)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>4.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of Yes kinase				J Med Chem 47: 4517-29 (2004) Article DOI: 10.1021/jm030217e BindingDB Entry DOI: 10.7270/Q2R210VQ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50492374 (CHEMBL2401983) Show SMILES Cc1ccc(cc1NC(=O)c1ccc(s1)-c1ccccc1Cl)C(=O)NC1CC1 Show InChI InChI=1S/C22H19ClN2O2S/c1-13-6-7-14(21(26)24-15-8-9-15)12-18(13)25-22(27)20-11-10-19(28-20)16-4-2-3-5-17(16)23/h2-7,10-12,15H,8-9H2,1H3,(H,24,26)(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human p38alpha expressed in Escherichia coli using MBP as substrate preincubated for 10 mins prior to substrate addition measured after...				Bioorg Med Chem Lett 23: 4120-6 (2013) Article DOI: 10.1016/j.bmcl.2013.05.047 BindingDB Entry DOI: 10.7270/Q2FN193N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase Fyn (Homo sapiens (Human))	BDBM50151366 ((2-Chloro-6-methyl-phenyl)-[8-((S)-3-methyl-pipera...) Show SMILES C[C@H]1CN(CCN1)c1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2n1 Show InChI InChI=1S/C21H22ClN7/c1-13-4-3-5-15(22)19(13)27-20-17-10-23-12-29(17)21-16(25-20)6-7-18(26-21)28-9-8-24-14(2)11-28/h3-7,10,12,14,24H,8-9,11H2,1-2H3,(H,25,27)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of Fyn protein kinase				J Med Chem 47: 4517-29 (2004) Article DOI: 10.1021/jm030217e BindingDB Entry DOI: 10.7270/Q2R210VQ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50492396 (CHEMBL2401990) Show SMILES Cc1ccc(cc1NC(=O)c1ccc(s1)-c1ccc(cc1)C#N)C(=O)NC1CC1 Show InChI InChI=1S/C23H19N3O2S/c1-14-2-5-17(22(27)25-18-8-9-18)12-19(14)26-23(28)21-11-10-20(29-21)16-6-3-15(13-24)4-7-16/h2-7,10-12,18H,8-9H2,1H3,(H,25,27)(H,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human p38alpha expressed in Escherichia coli using MBP as substrate preincubated for 10 mins prior to substrate addition measured after...				Bioorg Med Chem Lett 23: 4120-6 (2013) Article DOI: 10.1016/j.bmcl.2013.05.047 BindingDB Entry DOI: 10.7270/Q2FN193N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50492381 (CHEMBL2401991) Show SMILES Cc1ccc(cc1NC(=O)c1ccc(s1)-c1ccc(CO)cc1)C(=O)NC1CC1 Show InChI InChI=1S/C23H22N2O3S/c1-14-2-5-17(22(27)24-18-8-9-18)12-19(14)25-23(28)21-11-10-20(29-21)16-6-3-15(13-26)4-7-16/h2-7,10-12,18,26H,8-9,13H2,1H3,(H,24,27)(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human p38alpha expressed in Escherichia coli using MBP as substrate preincubated for 10 mins prior to substrate addition measured after...				Bioorg Med Chem Lett 23: 4120-6 (2013) Article DOI: 10.1016/j.bmcl.2013.05.047 BindingDB Entry DOI: 10.7270/Q2FN193N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14 (Homo sapiens (Human))	BDBM50492391 (CHEMBL2401999) Show SMILES Cc1ccc(cc1NC(=O)c1ccc(s1)-c1cncc(F)c1)C(=O)NC1CC1 Show InChI InChI=1S/C21H18FN3O2S/c1-12-2-3-13(20(26)24-16-4-5-16)9-17(12)25-21(27)19-7-6-18(28-19)14-8-15(22)11-23-10-14/h2-3,6-11,16H,4-5H2,1H3,(H,24,26)(H,25,27)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of p38 MAPK-mediated TNFalpha production in LPS-induced human whole blood preincubated for 5 mins prior to LPS-treatment measured after 6 ...				Bioorg Med Chem Lett 23: 4120-6 (2013) Article DOI: 10.1016/j.bmcl.2013.05.047 BindingDB Entry DOI: 10.7270/Q2FN193N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50492393 (CHEMBL2401978) Show SMILES Cc1ccc(cc1NC(=O)c1cnc(s1)-c1ccccc1Cl)C(=O)NC1CC1 Show InChI InChI=1S/C21H18ClN3O2S/c1-12-6-7-13(19(26)24-14-8-9-14)10-17(12)25-20(27)18-11-23-21(28-18)15-4-2-3-5-16(15)22/h2-7,10-11,14H,8-9H2,1H3,(H,24,26)(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human p38alpha expressed in Escherichia coli using MBP as substrate preincubated for 10 mins prior to substrate addition measured after...				Bioorg Med Chem Lett 23: 4120-6 (2013) Article DOI: 10.1016/j.bmcl.2013.05.047 BindingDB Entry DOI: 10.7270/Q2FN193N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50492380 (CHEMBL2402001) Show SMILES Cc1ccc(cn1)-c1ccc(s1)C(=O)Nc1cc(ccc1C)C(=O)NC1CC1 Show InChI InChI=1S/C22H21N3O2S/c1-13-3-5-15(21(26)24-17-7-8-17)11-18(13)25-22(27)20-10-9-19(28-20)16-6-4-14(2)23-12-16/h3-6,9-12,17H,7-8H2,1-2H3,(H,24,26)(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human p38alpha expressed in Escherichia coli using MBP as substrate preincubated for 10 mins prior to substrate addition measured after...				Bioorg Med Chem Lett 23: 4120-6 (2013) Article DOI: 10.1016/j.bmcl.2013.05.047 BindingDB Entry DOI: 10.7270/Q2FN193N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50492391 (CHEMBL2401999) Show SMILES Cc1ccc(cc1NC(=O)c1ccc(s1)-c1cncc(F)c1)C(=O)NC1CC1 Show InChI InChI=1S/C21H18FN3O2S/c1-12-2-3-13(20(26)24-16-4-5-16)9-17(12)25-21(27)19-7-6-18(28-19)14-8-15(22)11-23-10-14/h2-3,6-11,16H,4-5H2,1H3,(H,24,26)(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human p38alpha expressed in Escherichia coli using MBP as substrate preincubated for 10 mins prior to substrate addition measured after...				Bioorg Med Chem Lett 23: 4120-6 (2013) Article DOI: 10.1016/j.bmcl.2013.05.047 BindingDB Entry DOI: 10.7270/Q2FN193N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50492390 (CHEMBL2401984) Show SMILES Cc1ccc(cc1NC(=O)c1ccc(s1)-c1ccc(F)cc1)C(=O)NC1CC1 Show InChI InChI=1S/C22H19FN2O2S/c1-13-2-3-15(21(26)24-17-8-9-17)12-18(13)25-22(27)20-11-10-19(28-20)14-4-6-16(23)7-5-14/h2-7,10-12,17H,8-9H2,1H3,(H,24,26)(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human p38alpha expressed in Escherichia coli using MBP as substrate preincubated for 10 mins prior to substrate addition measured after...				Bioorg Med Chem Lett 23: 4120-6 (2013) Article DOI: 10.1016/j.bmcl.2013.05.047 BindingDB Entry DOI: 10.7270/Q2FN193N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50492377 (CHEMBL2401992) Show SMILES CN(C)Cc1ccc(cc1)-c1ccc(s1)C(=O)Nc1cc(ccc1C)C(=O)NC1CC1 Show InChI InChI=1S/C25H27N3O2S/c1-16-4-7-19(24(29)26-20-10-11-20)14-21(16)27-25(30)23-13-12-22(31-23)18-8-5-17(6-9-18)15-28(2)3/h4-9,12-14,20H,10-11,15H2,1-3H3,(H,26,29)(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human p38alpha expressed in Escherichia coli using MBP as substrate preincubated for 10 mins prior to substrate addition measured after...				Bioorg Med Chem Lett 23: 4120-6 (2013) Article DOI: 10.1016/j.bmcl.2013.05.047 BindingDB Entry DOI: 10.7270/Q2FN193N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50492397 (CHEMBL2401982) Show SMILES Cc1ccc(cc1NC(=O)c1ccc(s1)-c1cccc(Cl)c1)C(=O)NC1CC1 Show InChI InChI=1S/C22H19ClN2O2S/c1-13-5-6-15(21(26)24-17-7-8-17)12-18(13)25-22(27)20-10-9-19(28-20)14-3-2-4-16(23)11-14/h2-6,9-12,17H,7-8H2,1H3,(H,24,26)(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human p38alpha expressed in Escherichia coli using MBP as substrate preincubated for 10 mins prior to substrate addition measured after...				Bioorg Med Chem Lett 23: 4120-6 (2013) Article DOI: 10.1016/j.bmcl.2013.05.047 BindingDB Entry DOI: 10.7270/Q2FN193N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14 (Homo sapiens (Human))	BDBM50492389 (CHEMBL2401998) Show SMILES Cc1ccc(cc1NC(=O)c1ccc(s1)-c1ccncc1)C(=O)NC1CC1 Show InChI InChI=1S/C21H19N3O2S/c1-13-2-3-15(20(25)23-16-4-5-16)12-17(13)24-21(26)19-7-6-18(27-19)14-8-10-22-11-9-14/h2-3,6-12,16H,4-5H2,1H3,(H,23,25)(H,24,26)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of p38 MAPK-mediated TNFalpha production in LPS-induced human whole blood preincubated for 5 mins prior to LPS-treatment measured after 6 ...				Bioorg Med Chem Lett 23: 4120-6 (2013) Article DOI: 10.1016/j.bmcl.2013.05.047 BindingDB Entry DOI: 10.7270/Q2FN193N
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50102249 ((S)-tetrahydrofuran-3-yl 3-(3-(3-methoxy-4-(oxazol...) Show SMILES COc1cc(NC(=O)Nc2cccc(CNC(=O)O[C@H]3CCOC3)c2)ccc1-c1cnco1 Show InChI InChI=1S/C23H24N4O6/c1-30-20-10-17(5-6-19(20)21-12-24-14-32-21)27-22(28)26-16-4-2-3-15(9-16)11-25-23(29)33-18-7-8-31-13-18/h2-6,9-10,12,14,18H,7-8,11,13H2,1H3,(H,25,29)(H2,26,27,28)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human inosine-5'-monophosphate dehydrogenase 2				J Med Chem 45: 2127-30 (2002) BindingDB Entry DOI: 10.7270/Q21R6R71
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50113219 (CHEMBL68075 | N-{2-[2-(3-Methoxy-4-oxazol-5-yl-phe...) Show SMILES COc1cc(Nc2ncc(o2)-c2ccccc2N(C)C(=O)Cn2cccn2)ccc1-c1cnco1 Show InChI InChI=1S/C25H22N6O4/c1-30(24(32)15-31-11-5-10-28-31)20-7-4-3-6-18(20)23-14-27-25(35-23)29-17-8-9-19(21(12-17)33-2)22-13-26-16-34-22/h3-14,16H,15H2,1-2H3,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human inosine-5'-monophosphate dehydrogenase 2				J Med Chem 45: 2127-30 (2002) BindingDB Entry DOI: 10.7270/Q21R6R71
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50492389 (CHEMBL2401998) Show SMILES Cc1ccc(cc1NC(=O)c1ccc(s1)-c1ccncc1)C(=O)NC1CC1 Show InChI InChI=1S/C21H19N3O2S/c1-13-2-3-15(20(25)23-16-4-5-16)12-17(13)24-21(26)19-7-6-18(27-19)14-8-10-22-11-9-14/h2-3,6-12,16H,4-5H2,1H3,(H,23,25)(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human p38alpha expressed in Escherichia coli using MBP as substrate preincubated for 10 mins prior to substrate addition measured after...				Bioorg Med Chem Lett 23: 4120-6 (2013) Article DOI: 10.1016/j.bmcl.2013.05.047 BindingDB Entry DOI: 10.7270/Q2FN193N
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50113230 (BMS-337197 | CHEMBL64830 | N-{2-[2-(3-Methoxy-4-ox...) Show SMILES COc1cc(Nc2ncc(o2)-c2ccccc2N(C)C(=O)CN2CCOCC2)ccc1-c1cnco1 Show InChI InChI=1S/C26H27N5O5/c1-30(25(32)16-31-9-11-34-12-10-31)21-6-4-3-5-19(21)24-15-28-26(36-24)29-18-7-8-20(22(13-18)33-2)23-14-27-17-35-23/h3-8,13-15,17H,9-12,16H2,1-2H3,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human inosine-5'-monophosphate dehydrogenase 2				J Med Chem 45: 2127-30 (2002) BindingDB Entry DOI: 10.7270/Q21R6R71
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50113215 (CHEMBL67036 | N-{2-[2-(3-Methoxy-4-oxazol-5-yl-phe...) Show SMILES COc1cc(Nc2ncc(o2)-c2ccccc2N(C)C(=O)CCN2CCOCC2)ccc1-c1cnco1 Show InChI InChI=1S/C27H29N5O5/c1-31(26(33)9-10-32-11-13-35-14-12-32)22-6-4-3-5-20(22)25-17-29-27(37-25)30-19-7-8-21(23(15-19)34-2)24-16-28-18-36-24/h3-8,15-18H,9-14H2,1-2H3,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human inosine-5'-monophosphate dehydrogenase 2				J Med Chem 45: 2127-30 (2002) BindingDB Entry DOI: 10.7270/Q21R6R71
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50492375 (CHEMBL2401997) Show SMILES Cc1ccc(cc1NC(=O)c1ccc(s1)-c1cccnc1)C(=O)NC1CC1 Show InChI InChI=1S/C21H19N3O2S/c1-13-4-5-14(20(25)23-16-6-7-16)11-17(13)24-21(26)19-9-8-18(27-19)15-3-2-10-22-12-15/h2-5,8-12,16H,6-7H2,1H3,(H,23,25)(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human p38alpha expressed in Escherichia coli using MBP as substrate preincubated for 10 mins prior to substrate addition measured after...				Bioorg Med Chem Lett 23: 4120-6 (2013) Article DOI: 10.1016/j.bmcl.2013.05.047 BindingDB Entry DOI: 10.7270/Q2FN193N
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50113233 (CHEMBL66614 | N-{2-[2-(3-Methoxy-4-oxazol-5-yl-phe...) Show SMILES COc1cc(Nc2ncc(o2)-c2ccccc2N(C)C(=O)Cn2cncn2)ccc1-c1cnco1 Show InChI InChI=1S/C24H21N7O4/c1-30(23(32)12-31-14-26-13-28-31)19-6-4-3-5-17(19)22-11-27-24(35-22)29-16-7-8-18(20(9-16)33-2)21-10-25-15-34-21/h3-11,13-15H,12H2,1-2H3,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human inosine-5'-monophosphate dehydrogenase 2				J Med Chem 45: 2127-30 (2002) BindingDB Entry DOI: 10.7270/Q21R6R71
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM19264 ((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O Show InChI InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human inosine-5'-monophosphate dehydrogenase 2				J Med Chem 45: 2127-30 (2002) BindingDB Entry DOI: 10.7270/Q21R6R71
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50492388 (CHEMBL2401986) Show SMILES Cc1ccc(cc1NC(=O)c1ccc(s1)-c1ccccc1)C(=O)NC1CC1 Show InChI InChI=1S/C22H20N2O2S/c1-14-7-8-16(21(25)23-17-9-10-17)13-18(14)24-22(26)20-12-11-19(27-20)15-5-3-2-4-6-15/h2-8,11-13,17H,9-10H2,1H3,(H,23,25)(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human p38alpha expressed in Escherichia coli using MBP as substrate preincubated for 10 mins prior to substrate addition measured after...				Bioorg Med Chem Lett 23: 4120-6 (2013) Article DOI: 10.1016/j.bmcl.2013.05.047 BindingDB Entry DOI: 10.7270/Q2FN193N
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50113227 (2-Dimethylamino-N-{2-[2-(3-methoxy-4-oxazol-5-yl-p...) Show SMILES COc1cc(Nc2ncc(o2)-c2ccccc2N(C)C(=O)CN(C)C)ccc1-c1cnco1 Show InChI InChI=1S/C24H25N5O4/c1-28(2)14-23(30)29(3)19-8-6-5-7-17(19)22-13-26-24(33-22)27-16-9-10-18(20(11-16)31-4)21-12-25-15-32-21/h5-13,15H,14H2,1-4H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human inosine-5'-monophosphate dehydrogenase 2				J Med Chem 45: 2127-30 (2002) BindingDB Entry DOI: 10.7270/Q21R6R71
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50113216 (CHEMBL302967 | N-{2-[2-(3-Methoxy-4-oxazol-5-yl-ph...) Show SMILES COc1cc(Nc2ncc(o2)-c2ccccc2N(C)C(=O)CN2CCN(C)CC2)ccc1-c1cnco1 Show InChI InChI=1S/C27H30N6O4/c1-31-10-12-33(13-11-31)17-26(34)32(2)22-7-5-4-6-20(22)25-16-29-27(37-25)30-19-8-9-21(23(14-19)35-3)24-15-28-18-36-24/h4-9,14-16,18H,10-13,17H2,1-3H3,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human inosine-5'-monophosphate dehydrogenase 2				J Med Chem 45: 2127-30 (2002) BindingDB Entry DOI: 10.7270/Q21R6R71
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 11 (Homo sapiens (Human))	BDBM50492393 (CHEMBL2401978) Show SMILES Cc1ccc(cc1NC(=O)c1cnc(s1)-c1ccccc1Cl)C(=O)NC1CC1 Show InChI InChI=1S/C21H18ClN3O2S/c1-12-6-7-13(19(26)24-14-8-9-14)10-17(12)25-20(27)18-11-23-21(28-18)15-4-2-3-5-16(15)22/h2-7,10-11,14H,8-9H2,1H3,(H,24,26)(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human p38beta expressed in Escherichia coli using MBP as substrate preincubated for 10 mins prior to substrate addition measured after ...				Bioorg Med Chem Lett 23: 4120-6 (2013) Article DOI: 10.1016/j.bmcl.2013.05.047 BindingDB Entry DOI: 10.7270/Q2FN193N
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50113213 (CHEMBL306453 | N-{2-[2-(3-Methoxy-4-oxazol-5-yl-ph...) Show SMILES COc1cc(Nc2ncc(o2)-c2ccccc2N(C)C(C)=O)ccc1-c1cnco1 Show InChI InChI=1S/C22H20N4O4/c1-14(27)26(2)18-7-5-4-6-16(18)21-12-24-22(30-21)25-15-8-9-17(19(10-15)28-3)20-11-23-13-29-20/h4-13H,1-3H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human inosine-5'-monophosphate dehydrogenase 2				J Med Chem 45: 2127-30 (2002) BindingDB Entry DOI: 10.7270/Q21R6R71
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50113229 (2-tert-Butylamino-N-{2-[2-(3-methoxy-4-oxazol-5-yl...) Show SMILES COc1cc(Nc2ncc(o2)-c2ccccc2N(C)C(=O)CNC(C)(C)C)ccc1-c1cnco1 Show InChI InChI=1S/C26H29N5O4/c1-26(2,3)29-15-24(32)31(4)20-9-7-6-8-18(20)23-14-28-25(35-23)30-17-10-11-19(21(12-17)33-5)22-13-27-16-34-22/h6-14,16,29H,15H2,1-5H3,(H,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human inosine-5'-monophosphate dehydrogenase 2				J Med Chem 45: 2127-30 (2002) BindingDB Entry DOI: 10.7270/Q21R6R71
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50113224 ((3-Methoxy-4-oxazol-5-yl-phenyl)-(5-phenyl-oxazol-...) Show SMILES COc1cc(Nc2ncc(o2)-c2ccccc2)ccc1-c1cnco1 Show InChI InChI=1S/C19H15N3O3/c1-23-16-9-14(7-8-15(16)18-10-20-12-24-18)22-19-21-11-17(25-19)13-5-3-2-4-6-13/h2-12H,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human inosine-5'-monophosphate dehydrogenase 2				J Med Chem 45: 2127-30 (2002) BindingDB Entry DOI: 10.7270/Q21R6R71
					More data for this Ligand-Target Pair

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