Compile Data Set for Download or QSAR

Found 33 hits Enz. Inhib. hit(s) with all data for entry = 50038436   

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))	BDBM50376456 (CHEMBL262592) Show SMILES CCNC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4cc(F)cc(c4)N4CCOCC4)ccc3C)c2c1C Show InChI InChI=1S/C28H30FN7O3/c1-4-30-28(38)23-15-36-25(18(23)3)26(31-16-32-36)34-24-14-21(6-5-17(24)2)33-27(37)19-11-20(29)13-22(12-19)35-7-9-39-10-8-35/h5-6,11-16H,4,7-10H2,1-3H3,(H,30,38)(H,33,37)(H,31,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 18: 2739-44 (2008) Article DOI: 10.1016/j.bmcl.2008.02.067 BindingDB Entry DOI: 10.7270/Q29887X6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50376433 (CHEMBL258895) Show SMILES C[C@H](NC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4ccnc(c4)N4CCOCC4)ccc3C)c2c1C)c1ccccc1 Show InChI InChI=1S/C33H34N8O3/c1-21-9-10-26(38-32(42)25-11-12-34-29(17-25)40-13-15-44-16-14-40)18-28(21)39-31-30-22(2)27(19-41(30)36-20-35-31)33(43)37-23(3)24-7-5-4-6-8-24/h4-12,17-20,23H,13-16H2,1-3H3,(H,37,43)(H,38,42)(H,35,36,39)/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 18: 2739-44 (2008) Article DOI: 10.1016/j.bmcl.2008.02.067 BindingDB Entry DOI: 10.7270/Q29887X6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50376434 (CHEMBL408150) Show SMILES C[C@H](NC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4cccc(c4)N4CCOCC4)ccc3C)c2c1C)c1ccccc1 |r| Show InChI InChI=1S/C34H35N7O3/c1-22-12-13-27(38-33(42)26-10-7-11-28(18-26)40-14-16-44-17-15-40)19-30(22)39-32-31-23(2)29(20-41(31)36-21-35-32)34(43)37-24(3)25-8-5-4-6-9-25/h4-13,18-21,24H,14-17H2,1-3H3,(H,37,43)(H,38,42)(H,35,36,39)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 18: 2739-44 (2008) Article DOI: 10.1016/j.bmcl.2008.02.067 BindingDB Entry DOI: 10.7270/Q29887X6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50376435 (CHEMBL261845) Show SMILES C[C@H](NC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4cc(F)cc(c4)N4CCOCC4)ccc3C)c2c1C)c1ccccc1 Show InChI InChI=1S/C34H34FN7O3/c1-21-9-10-27(39-33(43)25-15-26(35)17-28(16-25)41-11-13-45-14-12-41)18-30(21)40-32-31-22(2)29(19-42(31)37-20-36-32)34(44)38-23(3)24-7-5-4-6-8-24/h4-10,15-20,23H,11-14H2,1-3H3,(H,38,44)(H,39,43)(H,36,37,40)/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 18: 2739-44 (2008) Article DOI: 10.1016/j.bmcl.2008.02.067 BindingDB Entry DOI: 10.7270/Q29887X6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50376432 (CHEMBL258748) Show SMILES CCNC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4cccc(c4)N4CCOCC4)ccc3C)c2c1C Show InChI InChI=1S/C28H31N7O3/c1-4-29-28(37)23-16-35-25(19(23)3)26(30-17-31-35)33-24-15-21(9-8-18(24)2)32-27(36)20-6-5-7-22(14-20)34-10-12-38-13-11-34/h5-9,14-17H,4,10-13H2,1-3H3,(H,29,37)(H,32,36)(H,30,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 18: 2739-44 (2008) Article DOI: 10.1016/j.bmcl.2008.02.067 BindingDB Entry DOI: 10.7270/Q29887X6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50376457 (CHEMBL259596) Show SMILES C[C@H](NC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4ccc(cc4)C#N)ccc3C)c2c1C)c1ccccc1 Show InChI InChI=1S/C31H27N7O2/c1-19-9-14-25(36-30(39)24-12-10-22(16-32)11-13-24)15-27(19)37-29-28-20(2)26(17-38(28)34-18-33-29)31(40)35-21(3)23-7-5-4-6-8-23/h4-15,17-18,21H,1-3H3,(H,35,40)(H,36,39)(H,33,34,37)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 18: 2739-44 (2008) Article DOI: 10.1016/j.bmcl.2008.02.067 BindingDB Entry DOI: 10.7270/Q29887X6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50376455 (CHEMBL261007) Show SMILES Cc1c(cn2ncnc(Nc3cc(NC(=O)c4cc(F)cc(c4)N4CCOCC4)ccc3C)c12)C(O)=O Show InChI InChI=1S/C26H25FN6O4/c1-15-3-4-19(30-25(34)17-9-18(27)11-20(10-17)32-5-7-37-8-6-32)12-22(15)31-24-23-16(2)21(26(35)36)13-33(23)29-14-28-24/h3-4,9-14H,5-8H2,1-2H3,(H,30,34)(H,35,36)(H,28,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 18: 2739-44 (2008) Article DOI: 10.1016/j.bmcl.2008.02.067 BindingDB Entry DOI: 10.7270/Q29887X6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50376441 (CHEMBL262608) Show SMILES CCNC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4ccnc(c4)N4CCOCC4)ccc3C)c2c1C Show InChI InChI=1S/C27H30N8O3/c1-4-28-27(37)21-15-35-24(18(21)3)25(30-16-31-35)33-22-14-20(6-5-17(22)2)32-26(36)19-7-8-29-23(13-19)34-9-11-38-12-10-34/h5-8,13-16H,4,9-12H2,1-3H3,(H,28,37)(H,32,36)(H,30,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 18: 2739-44 (2008) Article DOI: 10.1016/j.bmcl.2008.02.067 BindingDB Entry DOI: 10.7270/Q29887X6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50376438 (CHEMBL260411) Show SMILES COC[C@H](C)NC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4cc(F)cc(c4)N4CCOCC4)ccc3C)c2c1C Show InChI InChI=1S/C30H34FN7O4/c1-18-5-6-23(35-29(39)21-11-22(31)13-24(12-21)37-7-9-42-10-8-37)14-26(18)36-28-27-20(3)25(15-38(27)33-17-32-28)30(40)34-19(2)16-41-4/h5-6,11-15,17,19H,7-10,16H2,1-4H3,(H,34,40)(H,35,39)(H,32,33,36)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 18: 2739-44 (2008) Article DOI: 10.1016/j.bmcl.2008.02.067 BindingDB Entry DOI: 10.7270/Q29887X6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50376431 (CHEMBL260447) Show SMILES CCOC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4cc(F)cc(c4)N4CCOCC4)ccc3C)c2c1C Show InChI InChI=1S/C28H29FN6O4/c1-4-39-28(37)23-15-35-25(18(23)3)26(30-16-31-35)33-24-14-21(6-5-17(24)2)32-27(36)19-11-20(29)13-22(12-19)34-7-9-38-10-8-34/h5-6,11-16H,4,7-10H2,1-3H3,(H,32,36)(H,30,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 18: 2739-44 (2008) Article DOI: 10.1016/j.bmcl.2008.02.067 BindingDB Entry DOI: 10.7270/Q29887X6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50376438 (CHEMBL260411) Show SMILES COC[C@H](C)NC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4cc(F)cc(c4)N4CCOCC4)ccc3C)c2c1C Show InChI InChI=1S/C30H34FN7O4/c1-18-5-6-23(35-29(39)21-11-22(31)13-24(12-21)37-7-9-42-10-8-37)14-26(18)36-28-27-20(3)25(15-38(27)33-17-32-28)30(40)34-19(2)16-41-4/h5-6,11-15,17,19H,7-10,16H2,1-4H3,(H,34,40)(H,35,39)(H,32,33,36)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 18: 2739-44 (2008) Article DOI: 10.1016/j.bmcl.2008.02.067 BindingDB Entry DOI: 10.7270/Q29887X6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50376454 (CHEMBL261006) Show SMILES Cc1c(cn2ncnc(Nc3cc(NC(=O)c4cc(F)cc(c4)N4CCOCC4)ccc3C)c12)C(N)=O Show InChI InChI=1S/C26H26FN7O3/c1-15-3-4-19(31-26(36)17-9-18(27)11-20(10-17)33-5-7-37-8-6-33)12-22(15)32-25-23-16(2)21(24(28)35)13-34(23)30-14-29-25/h3-4,9-14H,5-8H2,1-2H3,(H2,28,35)(H,31,36)(H,29,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 18: 2739-44 (2008) Article DOI: 10.1016/j.bmcl.2008.02.067 BindingDB Entry DOI: 10.7270/Q29887X6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50376430 (CHEMBL261005) Show SMILES CNC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4cc(F)cc(c4)N4CCOCC4)ccc3C)c2c1C Show InChI InChI=1S/C27H28FN7O3/c1-16-4-5-20(32-26(36)18-10-19(28)12-21(11-18)34-6-8-38-9-7-34)13-23(16)33-25-24-17(2)22(27(37)29-3)14-35(24)31-15-30-25/h4-5,10-15H,6-9H2,1-3H3,(H,29,37)(H,32,36)(H,30,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 18: 2739-44 (2008) Article DOI: 10.1016/j.bmcl.2008.02.067 BindingDB Entry DOI: 10.7270/Q29887X6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50376453 (CHEMBL442462) Show SMILES CCCNC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4cc(F)cc(c4)N4CCOCC4)ccc3C)c2c1C Show InChI InChI=1S/C29H32FN7O3/c1-4-7-31-29(39)24-16-37-26(19(24)3)27(32-17-33-37)35-25-15-22(6-5-18(25)2)34-28(38)20-12-21(30)14-23(13-20)36-8-10-40-11-9-36/h5-6,12-17H,4,7-11H2,1-3H3,(H,31,39)(H,34,38)(H,32,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 18: 2739-44 (2008) Article DOI: 10.1016/j.bmcl.2008.02.067 BindingDB Entry DOI: 10.7270/Q29887X6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50376452 (CHEMBL261755) Show SMILES CC(C)NC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4cc(F)cc(c4)N4CCOCC4)ccc3C)c2c1C Show InChI InChI=1S/C29H32FN7O3/c1-17(2)33-29(39)24-15-37-26(19(24)4)27(31-16-32-37)35-25-14-22(6-5-18(25)3)34-28(38)20-11-21(30)13-23(12-20)36-7-9-40-10-8-36/h5-6,11-17H,7-10H2,1-4H3,(H,33,39)(H,34,38)(H,31,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 18: 2739-44 (2008) Article DOI: 10.1016/j.bmcl.2008.02.067 BindingDB Entry DOI: 10.7270/Q29887X6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50376443 (CHEMBL262867) Show SMILES CCNC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4cccc(c4)-n4ccnc4)ccc3C)c2c1C Show InChI InChI=1S/C27H26N8O2/c1-4-29-27(37)22-14-35-24(18(22)3)25(30-15-31-35)33-23-13-20(9-8-17(23)2)32-26(36)19-6-5-7-21(12-19)34-11-10-28-16-34/h5-16H,4H2,1-3H3,(H,29,37)(H,32,36)(H,30,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 18: 2739-44 (2008) Article DOI: 10.1016/j.bmcl.2008.02.067 BindingDB Entry DOI: 10.7270/Q29887X6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50376450 (CHEMBL258794) Show SMILES CN(C)CCNC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4cc(F)cc(c4)N4CCOCC4)ccc3C)c2c1C Show InChI InChI=1S/C30H35FN8O3/c1-19-5-6-23(35-29(40)21-13-22(31)15-24(14-21)38-9-11-42-12-10-38)16-26(19)36-28-27-20(2)25(17-39(27)34-18-33-28)30(41)32-7-8-37(3)4/h5-6,13-18H,7-12H2,1-4H3,(H,32,41)(H,35,40)(H,33,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 18: 2739-44 (2008) Article DOI: 10.1016/j.bmcl.2008.02.067 BindingDB Entry DOI: 10.7270/Q29887X6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50376439 (CHEMBL409116) Show SMILES COC[C@H](C)NC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4cccc(c4)N4CCOCC4)ccc3C)c2c1C Show InChI InChI=1S/C30H35N7O4/c1-19-8-9-23(34-29(38)22-6-5-7-24(14-22)36-10-12-41-13-11-36)15-26(19)35-28-27-21(3)25(16-37(27)32-18-31-28)30(39)33-20(2)17-40-4/h5-9,14-16,18,20H,10-13,17H2,1-4H3,(H,33,39)(H,34,38)(H,31,32,35)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 18: 2739-44 (2008) Article DOI: 10.1016/j.bmcl.2008.02.067 BindingDB Entry DOI: 10.7270/Q29887X6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50376448 (CHEMBL262624) Show SMILES C[C@H](NC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4ccc(C)cc4)ccc3C)c2c1C)c1ccccc1 Show InChI InChI=1S/C31H30N6O2/c1-19-10-13-24(14-11-19)30(38)35-25-15-12-20(2)27(16-25)36-29-28-21(3)26(17-37(28)33-18-32-29)31(39)34-22(4)23-8-6-5-7-9-23/h5-18,22H,1-4H3,(H,34,39)(H,35,38)(H,32,33,36)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 18: 2739-44 (2008) Article DOI: 10.1016/j.bmcl.2008.02.067 BindingDB Entry DOI: 10.7270/Q29887X6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50376445 (CHEMBL411257) Show SMILES C[C@H](NC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4ccncc4)ccc3C)c2c1C)c1ccccc1 Show InChI InChI=1S/C29H27N7O2/c1-18-9-10-23(34-28(37)22-11-13-30-14-12-22)15-25(18)35-27-26-19(2)24(16-36(26)32-17-31-27)29(38)33-20(3)21-7-5-4-6-8-21/h4-17,20H,1-3H3,(H,33,38)(H,34,37)(H,31,32,35)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 18: 2739-44 (2008) Article DOI: 10.1016/j.bmcl.2008.02.067 BindingDB Entry DOI: 10.7270/Q29887X6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50376437 (CHEMBL262095) Show SMILES COC[C@H](C)NC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4ccc(cc4)C#N)ccc3C)c2c1C Show InChI InChI=1S/C27H27N7O3/c1-16-5-10-21(32-26(35)20-8-6-19(12-28)7-9-20)11-23(16)33-25-24-18(3)22(13-34(24)30-15-29-25)27(36)31-17(2)14-37-4/h5-11,13,15,17H,14H2,1-4H3,(H,31,36)(H,32,35)(H,29,30,33)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 18: 2739-44 (2008) Article DOI: 10.1016/j.bmcl.2008.02.067 BindingDB Entry DOI: 10.7270/Q29887X6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50376442 (CHEMBL262866) Show SMILES CCNC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4cccc(c4)N4CCCC4=O)ccc3C)c2c1C Show InChI InChI=1S/C28H29N7O3/c1-4-29-28(38)22-15-35-25(18(22)3)26(30-16-31-35)33-23-14-20(11-10-17(23)2)32-27(37)19-7-5-8-21(13-19)34-12-6-9-24(34)36/h5,7-8,10-11,13-16H,4,6,9,12H2,1-3H3,(H,29,38)(H,32,37)(H,30,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 18: 2739-44 (2008) Article DOI: 10.1016/j.bmcl.2008.02.067 BindingDB Entry DOI: 10.7270/Q29887X6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50376449 (CHEMBL261285) Show SMILES C[C@H](NC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4ccccc4)ccc3C)c2c1C)c1ccccc1 Show InChI InChI=1S/C30H28N6O2/c1-19-14-15-24(34-29(37)23-12-8-5-9-13-23)16-26(19)35-28-27-20(2)25(17-36(27)32-18-31-28)30(38)33-21(3)22-10-6-4-7-11-22/h4-18,21H,1-3H3,(H,33,38)(H,34,37)(H,31,32,35)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 18: 2739-44 (2008) Article DOI: 10.1016/j.bmcl.2008.02.067 BindingDB Entry DOI: 10.7270/Q29887X6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50376429 (CHEMBL445574) Show SMILES C[C@@H](NC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4cc(F)cc(c4)N4CCOCC4)ccc3C)c2c1C)c1ccccc1 Show InChI InChI=1S/C34H34FN7O3/c1-21-9-10-27(39-33(43)25-15-26(35)17-28(16-25)41-11-13-45-14-12-41)18-30(21)40-32-31-22(2)29(19-42(31)37-20-36-32)34(44)38-23(3)24-7-5-4-6-8-24/h4-10,15-20,23H,11-14H2,1-3H3,(H,38,44)(H,39,43)(H,36,37,40)/t23-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 18: 2739-44 (2008) Article DOI: 10.1016/j.bmcl.2008.02.067 BindingDB Entry DOI: 10.7270/Q29887X6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50376440 (CHEMBL261061) Show SMILES CCNC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4ccc(cc4)C#N)ccc3C)c2c1C Show InChI InChI=1S/C25H23N7O2/c1-4-27-25(34)20-13-32-22(16(20)3)23(28-14-29-32)31-21-11-19(10-5-15(21)2)30-24(33)18-8-6-17(12-26)7-9-18/h5-11,13-14H,4H2,1-3H3,(H,27,34)(H,30,33)(H,28,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 18: 2739-44 (2008) Article DOI: 10.1016/j.bmcl.2008.02.067 BindingDB Entry DOI: 10.7270/Q29887X6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50376436 (CHEMBL262097) Show SMILES Cc1ccn2ncnc(Nc3cc(NC(=O)c4cc(F)cc(c4)N4CCOCC4)ccc3C)c12 Show InChI InChI=1S/C25H25FN6O2/c1-16-3-4-20(14-22(16)30-24-23-17(2)5-6-32(23)28-15-27-24)29-25(33)18-11-19(26)13-21(12-18)31-7-9-34-10-8-31/h3-6,11-15H,7-10H2,1-2H3,(H,29,33)(H,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 18: 2739-44 (2008) Article DOI: 10.1016/j.bmcl.2008.02.067 BindingDB Entry DOI: 10.7270/Q29887X6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50376447 (CHEMBL265956) Show SMILES C[C@H](NC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4cccc(c4)C(F)(F)F)ccc3C)c2c1C)c1ccccc1 Show InChI InChI=1S/C31H27F3N6O2/c1-18-12-13-24(38-29(41)22-10-7-11-23(14-22)31(32,33)34)15-26(18)39-28-27-19(2)25(16-40(27)36-17-35-28)30(42)37-20(3)21-8-5-4-6-9-21/h4-17,20H,1-3H3,(H,37,42)(H,38,41)(H,35,36,39)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 18: 2739-44 (2008) Article DOI: 10.1016/j.bmcl.2008.02.067 BindingDB Entry DOI: 10.7270/Q29887X6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50376451 (CHEMBL260759) Show SMILES CN(C)C(=O)c1cn2ncnc(Nc3cc(NC(=O)c4cc(F)cc(c4)N4CCOCC4)ccc3C)c2c1C Show InChI InChI=1S/C28H30FN7O3/c1-17-5-6-21(32-27(37)19-11-20(29)13-22(12-19)35-7-9-39-10-8-35)14-24(17)33-26-25-18(2)23(28(38)34(3)4)15-36(25)31-16-30-26/h5-6,11-16H,7-10H2,1-4H3,(H,32,37)(H,30,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 18: 2739-44 (2008) Article DOI: 10.1016/j.bmcl.2008.02.067 BindingDB Entry DOI: 10.7270/Q29887X6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50376428 (CHEMBL264697) Show SMILES C[C@H](NC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4cccc(C)c4)ccc3C)c2c1C)c1ccccc1 Show InChI InChI=1S/C31H30N6O2/c1-19-9-8-12-24(15-19)30(38)35-25-14-13-20(2)27(16-25)36-29-28-21(3)26(17-37(28)33-18-32-29)31(39)34-22(4)23-10-6-5-7-11-23/h5-18,22H,1-4H3,(H,34,39)(H,35,38)(H,32,33,36)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 18: 2739-44 (2008) Article DOI: 10.1016/j.bmcl.2008.02.067 BindingDB Entry DOI: 10.7270/Q29887X6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50376426 (CHEMBL409545) Show SMILES CCNC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4cccc(c4)-n4cccn4)ccc3C)c2c1C Show InChI InChI=1S/C27H26N8O2/c1-4-28-27(37)22-15-35-24(18(22)3)25(29-16-31-35)33-23-14-20(10-9-17(23)2)32-26(36)19-7-5-8-21(13-19)34-12-6-11-30-34/h5-16H,4H2,1-3H3,(H,28,37)(H,32,36)(H,29,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	123	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 18: 2739-44 (2008) Article DOI: 10.1016/j.bmcl.2008.02.067 BindingDB Entry DOI: 10.7270/Q29887X6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50376444 (CHEMBL258747) Show SMILES CCNC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4cccc(c4)N4CCN(C)CC4)ccc3C)c2c1C Show InChI InChI=1S/C29H34N8O2/c1-5-30-29(39)24-17-37-26(20(24)3)27(31-18-32-37)34-25-16-22(10-9-19(25)2)33-28(38)21-7-6-8-23(15-21)36-13-11-35(4)12-14-36/h6-10,15-18H,5,11-14H2,1-4H3,(H,30,39)(H,33,38)(H,31,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	924	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 18: 2739-44 (2008) Article DOI: 10.1016/j.bmcl.2008.02.067 BindingDB Entry DOI: 10.7270/Q29887X6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50376446 (CHEMBL259597) Show SMILES C[C@H](NC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4c(Cl)cccc4Cl)ccc3C)c2c1C)c1ccccc1 Show InChI InChI=1S/C30H26Cl2N6O2/c1-17-12-13-21(36-30(40)26-23(31)10-7-11-24(26)32)14-25(17)37-28-27-18(2)22(15-38(27)34-16-33-28)29(39)35-19(3)20-8-5-4-6-9-20/h4-16,19H,1-3H3,(H,35,39)(H,36,40)(H,33,34,37)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 18: 2739-44 (2008) Article DOI: 10.1016/j.bmcl.2008.02.067 BindingDB Entry DOI: 10.7270/Q29887X6
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50376427 (CHEMBL262625) Show SMILES C[C@H](NC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4cc(cc(c4)C(F)(F)F)C(F)(F)F)ccc3C)c2c1C)c1ccccc1 Show InChI InChI=1S/C32H26F6N6O2/c1-17-9-10-24(42-29(45)21-11-22(31(33,34)35)13-23(12-21)32(36,37)38)14-26(17)43-28-27-18(2)25(15-44(27)40-16-39-28)30(46)41-19(3)20-7-5-4-6-8-20/h4-16,19H,1-3H3,(H,41,46)(H,42,45)(H,39,40,43)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 18: 2739-44 (2008) Article DOI: 10.1016/j.bmcl.2008.02.067 BindingDB Entry DOI: 10.7270/Q29887X6
					More data for this Ligand-Target Pair