Compile Data Set for Download or QSAR

Found 542 hits with Last Name = 'nash' and Initial = 'i'   

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
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50263028 (4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimi...) Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1 Show InChI InChI=1S/C20H26N6O3S/c1-14(2)26-15(3)22-13-19(26)18-9-10-21-20(25-18)24-16-5-7-17(8-6-16)30(27,28)23-11-12-29-4/h5-10,13-14,23H,11-12H2,1-4H3,(H,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CDK2				Bioorg Med Chem Lett 18: 5487-92 (2008) Article DOI: 10.1016/j.bmcl.2008.09.024 BindingDB Entry DOI: 10.7270/Q2J9667K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7657 (4-[(4-{imidazo[1,2-a]pyridin-3-yl}pyrimidin-2-yl)a...) Show SMILES NS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccccn23)cc1 Show InChI InChI=1S/C17H14N6O2S/c18-26(24,25)13-6-4-12(5-7-13)21-17-19-9-8-14(22-17)15-11-20-16-3-1-2-10-23(15)16/h1-11H,(H2,18,24,25)(H,19,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CDK2				Bioorg Med Chem Lett 18: 5487-92 (2008) Article DOI: 10.1016/j.bmcl.2008.09.024 BindingDB Entry DOI: 10.7270/Q2J9667K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50025069 (CHEMBL485425) Show SMILES CNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C)cc1 Show InChI InChI=1S/C16H18N6O2S/c1-11-19-10-15(22(11)3)14-8-9-18-16(21-14)20-12-4-6-13(7-5-12)25(23,24)17-2/h4-10,17H,1-3H3,(H,18,20,21)	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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CDK2				Bioorg Med Chem Lett 18: 5487-92 (2008) Article DOI: 10.1016/j.bmcl.2008.09.024 BindingDB Entry DOI: 10.7270/Q2J9667K
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50025068 (CHEMBL484555) Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C2CCCC2)cc1 Show InChI InChI=1S/C22H28N6O3S/c1-16-24-15-21(28(16)18-5-3-4-6-18)20-11-12-23-22(27-20)26-17-7-9-19(10-8-17)32(29,30)25-13-14-31-2/h7-12,15,18,25H,3-6,13-14H2,1-2H3,(H,23,26,27)	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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CDK2				Bioorg Med Chem Lett 18: 5487-92 (2008) Article DOI: 10.1016/j.bmcl.2008.09.024 BindingDB Entry DOI: 10.7270/Q2J9667K
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7672 (4-[(4-{imidazo[1,2-a]pyridazin-3-yl}pyrimidin-2-yl...) Show SMILES CNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3cccnn23)cc1 Show InChI InChI=1S/C17H15N7O2S/c1-18-27(25,26)13-6-4-12(5-7-13)22-17-19-10-8-14(23-17)15-11-20-16-3-2-9-21-24(15)16/h2-11,18H,1H3,(H,19,22,23)	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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CDK2				Bioorg Med Chem Lett 18: 5487-92 (2008) Article DOI: 10.1016/j.bmcl.2008.09.024 BindingDB Entry DOI: 10.7270/Q2J9667K
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50274698 (4-(4-(1-ethyl-2-methyl-1H-imidazol-5-yl)pyrimidin-...) Show SMILES CCn1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)NCCOC)n1 Show InChI InChI=1S/C19H24N6O3S/c1-4-25-14(2)21-13-18(25)17-9-10-20-19(24-17)23-15-5-7-16(8-6-15)29(26,27)22-11-12-28-3/h5-10,13,22H,4,11-12H2,1-3H3,(H,20,23,24)	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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CDK2				Bioorg Med Chem Lett 18: 5487-92 (2008) Article DOI: 10.1016/j.bmcl.2008.09.024 BindingDB Entry DOI: 10.7270/Q2J9667K
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50315949 ((S)-N-(4-aminobutyl)-N-(2-(1-phenylethylamino)pyri...) Show SMILES C[C@H](Nc1nccc(n1)N(CCCCN)C(=O)c1ccc2OCCc2c1)c1ccccc1 |r| Show InChI InChI=1S/C25H29N5O2/c1-18(19-7-3-2-4-8-19)28-25-27-14-11-23(29-25)30(15-6-5-13-26)24(31)21-9-10-22-20(17-21)12-16-32-22/h2-4,7-11,14,17-18H,5-6,12-13,15-16,26H2,1H3,(H,27,28,29)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Scios Inc. Curated by ChEMBL					Assay Description Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting				Bioorg Med Chem Lett 20: 2560-3 (2010) Article DOI: 10.1016/j.bmcl.2010.02.090 BindingDB Entry DOI: 10.7270/Q2BV7GS3
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50384389 (CHEMBL2031461) Show SMILES CN1CCN(CC1)c1ccc2ncn(-c3cc(ccc3C)C(=O)Nc3ccon3)c(=O)c2c1 Show InChI InChI=1S/C24H24N6O3/c1-16-3-4-17(23(31)26-22-7-12-33-27-22)13-21(16)30-15-25-20-6-5-18(14-19(20)24(30)32)29-10-8-28(2)9-11-29/h3-7,12-15H,8-11H2,1-2H3,(H,26,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4.68	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of p38alpha-mediated TNFalpha secretion in LPS-stimulated human whole blood assessed as IC50 equals to free drug concentration at human wh...				Bioorg Med Chem Lett 22: 3879-83 (2012) Article DOI: 10.1016/j.bmcl.2012.04.116 BindingDB Entry DOI: 10.7270/Q2VH5PWC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50274662 (4-(4-(1,2-dimethyl-1H-imidazol-5-yl)pyrimidin-2-yl...) Show SMILES CC(C)OCCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C)cc1 Show InChI InChI=1S/C21H28N6O3S/c1-15(2)30-13-5-11-24-31(28,29)18-8-6-17(7-9-18)25-21-22-12-10-19(26-21)20-14-23-16(3)27(20)4/h6-10,12,14-15,24H,5,11,13H2,1-4H3,(H,22,25,26)	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	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CDK2				Bioorg Med Chem Lett 18: 5487-92 (2008) Article DOI: 10.1016/j.bmcl.2008.09.024 BindingDB Entry DOI: 10.7270/Q2J9667K
					More data for this Ligand-Target Pair
G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50246253 (4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(me...) Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(C)(=O)=O)n1 Show InChI InChI=1S/C18H21N5O2S/c1-12(2)23-13(3)20-11-17(23)16-9-10-19-18(22-16)21-14-5-7-15(8-6-14)26(4,24)25/h5-12H,1-4H3,(H,19,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Cyclin E/CDK2				Bioorg Med Chem Lett 18: 5487-92 (2008) Article DOI: 10.1016/j.bmcl.2008.09.024 BindingDB Entry DOI: 10.7270/Q2J9667K
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50246253 (4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(me...) Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(C)(=O)=O)n1 Show InChI InChI=1S/C18H21N5O2S/c1-12(2)23-13(3)20-11-17(23)16-9-10-19-18(22-16)21-14-5-7-15(8-6-14)26(4,24)25/h5-12H,1-4H3,(H,19,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CDK2				Bioorg Med Chem Lett 18: 5487-92 (2008) Article DOI: 10.1016/j.bmcl.2008.09.024 BindingDB Entry DOI: 10.7270/Q2J9667K
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50306491 (2-(6-chloro-5-((2R,5S)-4-(1-(4-fluorophenyl)ethyl)...) Show SMILES CC(N1C[C@@H](C)N(C[C@@H]1C)C(=O)c1cc2c(cn(C)c2cc1Cl)C(=O)C(=O)N(C)C)c1ccc(F)cc1 |r| Show InChI InChI=1S/C28H32ClFN4O3/c1-16-14-34(17(2)13-33(16)18(3)19-7-9-20(30)10-8-19)27(36)22-11-21-23(26(35)28(37)31(4)5)15-32(6)25(21)12-24(22)29/h7-12,15-18H,13-14H2,1-6H3/t16-,17+,18?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Scios inc Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 20: 828-31 (2010) Article DOI: 10.1016/j.bmcl.2009.12.091 BindingDB Entry DOI: 10.7270/Q22N52CF
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50384389 (CHEMBL2031461) Show SMILES CN1CCN(CC1)c1ccc2ncn(-c3cc(ccc3C)C(=O)Nc3ccon3)c(=O)c2c1 Show InChI InChI=1S/C24H24N6O3/c1-16-3-4-17(23(31)26-22-7-12-33-27-22)13-21(16)30-15-25-20-6-5-18(14-19(20)24(30)32)29-10-8-28(2)9-11-29/h3-7,12-15H,8-11H2,1-2H3,(H,26,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6.61	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of p38alpha kinase				Bioorg Med Chem Lett 22: 3879-83 (2012) Article DOI: 10.1016/j.bmcl.2012.04.116 BindingDB Entry DOI: 10.7270/Q2VH5PWC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50384389 (CHEMBL2031461) Show SMILES CN1CCN(CC1)c1ccc2ncn(-c3cc(ccc3C)C(=O)Nc3ccon3)c(=O)c2c1 Show InChI InChI=1S/C24H24N6O3/c1-16-3-4-17(23(31)26-22-7-12-33-27-22)13-21(16)30-15-25-20-6-5-18(14-19(20)24(30)32)29-10-8-28(2)9-11-29/h3-7,12-15H,8-11H2,1-2H3,(H,26,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of p38alpha kinase				Bioorg Med Chem Lett 22: 3879-83 (2012) Article DOI: 10.1016/j.bmcl.2012.04.116 BindingDB Entry DOI: 10.7270/Q2VH5PWC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7674 (CHEMBL484571 | Imidazo[1,2-b]pyridazine deriv. 2d ...) Show SMILES CN(C)CCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3cccnn23)cc1 Show InChI InChI=1S/C20H22N8O2S/c1-27(2)13-12-24-31(29,30)16-7-5-15(6-8-16)25-20-21-11-9-17(26-20)18-14-22-19-4-3-10-23-28(18)19/h3-11,14,24H,12-13H2,1-2H3,(H,21,25,26)	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	8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CDK2				Bioorg Med Chem Lett 18: 5487-92 (2008) Article DOI: 10.1016/j.bmcl.2008.09.024 BindingDB Entry DOI: 10.7270/Q2J9667K
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50274661 (4-(4-(1,2-dimethyl-1H-imidazol-5-yl)pyrimidin-2-yl...) Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C)cc1 Show InChI InChI=1S/C18H22N6O3S/c1-13-20-12-17(24(13)2)16-8-9-19-18(23-16)22-14-4-6-15(7-5-14)28(25,26)21-10-11-27-3/h4-9,12,21H,10-11H2,1-3H3,(H,19,22,23)	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	8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CDK2				Bioorg Med Chem Lett 18: 5487-92 (2008) Article DOI: 10.1016/j.bmcl.2008.09.024 BindingDB Entry DOI: 10.7270/Q2J9667K
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50274625 (4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(pr...) Show SMILES CCCS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1 Show InChI InChI=1S/C20H25N5O2S/c1-5-12-28(26,27)17-8-6-16(7-9-17)23-20-21-11-10-18(24-20)19-13-22-15(4)25(19)14(2)3/h6-11,13-14H,5,12H2,1-4H3,(H,21,23,24)	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	8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CDK2				Bioorg Med Chem Lett 18: 5487-92 (2008) Article DOI: 10.1016/j.bmcl.2008.09.024 BindingDB Entry DOI: 10.7270/Q2J9667K
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50384364 (CHEMBL2031462) Show SMILES CN1CCN(CC1)c1ccc2ncn(-c3cc(ccc3C)C(=O)Nc3ccno3)c(=O)c2c1 Show InChI InChI=1S/C24H24N6O3/c1-16-3-4-17(23(31)27-22-7-8-26-33-22)13-21(16)30-15-25-20-6-5-18(14-19(20)24(30)32)29-11-9-28(2)10-12-29/h3-8,13-15H,9-12H2,1-2H3,(H,27,31)	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	8.13	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of p38alpha-mediated TNFalpha secretion in LPS-stimulated human whole blood assessed as IC50 equals to free drug concentration at human wh...				Bioorg Med Chem Lett 22: 3879-83 (2012) Article DOI: 10.1016/j.bmcl.2012.04.116 BindingDB Entry DOI: 10.7270/Q2VH5PWC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50384385 (CHEMBL2031238) Show SMILES CN1CCN(CC1)c1ccc2ncn(-c3cc(NC(=O)c4ccoc4)ccc3C)c(=O)c2c1 Show InChI InChI=1S/C25H25N5O3/c1-17-3-4-19(27-24(31)18-7-12-33-15-18)13-23(17)30-16-26-22-6-5-20(14-21(22)25(30)32)29-10-8-28(2)9-11-29/h3-7,12-16H,8-11H2,1-2H3,(H,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	8.91	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of p38alpha kinase				Bioorg Med Chem Lett 22: 3879-83 (2012) Article DOI: 10.1016/j.bmcl.2012.04.116 BindingDB Entry DOI: 10.7270/Q2VH5PWC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50384385 (CHEMBL2031238) Show SMILES CN1CCN(CC1)c1ccc2ncn(-c3cc(NC(=O)c4ccoc4)ccc3C)c(=O)c2c1 Show InChI InChI=1S/C25H25N5O3/c1-17-3-4-19(27-24(31)18-7-12-33-15-18)13-23(17)30-16-26-22-6-5-20(14-21(22)25(30)32)29-10-8-28(2)9-11-29/h3-7,12-16H,8-11H2,1-2H3,(H,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of p38alpha kinase				Bioorg Med Chem Lett 22: 3879-83 (2012) Article DOI: 10.1016/j.bmcl.2012.04.116 BindingDB Entry DOI: 10.7270/Q2VH5PWC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50266947 (2-(6-chloro-5-((2R,5S)-4-(4-fluorobenzyl)-2,5-dime...) Show SMILES C[C@H]1CN([C@H](C)CN1Cc1ccc(F)cc1)C(=O)c1cc2c(cn(C)c2cc1Cl)C(=O)C(=O)N(C)C |r| Show InChI InChI=1S/C27H30ClFN4O3/c1-16-13-33(17(2)12-32(16)14-18-6-8-19(29)9-7-18)26(35)21-10-20-22(25(34)27(36)30(3)4)15-31(5)24(20)11-23(21)28/h6-11,15-17H,12-14H2,1-5H3/t16-,17+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Scios inc Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 20: 828-31 (2010) Article DOI: 10.1016/j.bmcl.2009.12.091 BindingDB Entry DOI: 10.7270/Q22N52CF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50306493 (2-(5-((2R,5S)-4-benzhydryl-2,5-dimethylpiperazine-...) Show SMILES C[C@H]1CN([C@H](C)CN1C(c1ccccc1)c1ccccc1)C(=O)c1cc2c(cn(C)c2cc1Cl)C(=O)C(=O)N(C)C |r| Show InChI InChI=1S/C33H35ClN4O3/c1-21-19-38(22(2)18-37(21)30(23-12-8-6-9-13-23)24-14-10-7-11-15-24)32(40)26-16-25-27(31(39)33(41)35(3)4)20-36(5)29(25)17-28(26)34/h6-17,20-22,30H,18-19H2,1-5H3/t21-,22+/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	9	n/a	n/a	n/a	n/a	n/a	n/a
Scios inc Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 20: 828-31 (2010) Article DOI: 10.1016/j.bmcl.2009.12.091 BindingDB Entry DOI: 10.7270/Q22N52CF
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50384382 (CHEMBL2031227) Show SMILES CN1CCN(CC1)c1ccc2ncn(-c3cc(NC(=O)c4ccc(cc4)C#N)ccc3C)c(=O)c2c1 Show InChI InChI=1S/C28H26N6O2/c1-19-3-8-22(31-27(35)21-6-4-20(17-29)5-7-21)15-26(19)34-18-30-25-10-9-23(16-24(25)28(34)36)33-13-11-32(2)12-14-33/h3-10,15-16,18H,11-14H2,1-2H3,(H,31,35)	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	9	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of p38alpha kinase				Bioorg Med Chem Lett 22: 3879-83 (2012) Article DOI: 10.1016/j.bmcl.2012.04.116 BindingDB Entry DOI: 10.7270/Q2VH5PWC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50384382 (CHEMBL2031227) Show SMILES CN1CCN(CC1)c1ccc2ncn(-c3cc(NC(=O)c4ccc(cc4)C#N)ccc3C)c(=O)c2c1 Show InChI InChI=1S/C28H26N6O2/c1-19-3-8-22(31-27(35)21-6-4-20(17-29)5-7-21)15-26(19)34-18-30-25-10-9-23(16-24(25)28(34)36)33-13-11-32(2)12-14-33/h3-10,15-16,18H,11-14H2,1-2H3,(H,31,35)	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	9	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of p38alpha kinase				Bioorg Med Chem Lett 22: 3879-83 (2012) Article DOI: 10.1016/j.bmcl.2012.04.116 BindingDB Entry DOI: 10.7270/Q2VH5PWC
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50026697 (CHEMBL1940287) Show SMILES COc1ccc(CNC(=O)c2ccc(Oc3ccc(cc3)C#C[C@]3(O)CN4CCC3CC4)cc2)cc1OC |r,wU:23.24,(-11.57,-13.27,;-10.23,-14.05,;-8.9,-13.28,;-7.55,-14.06,;-6.22,-13.29,;-6.22,-11.75,;-4.88,-10.98,;-3.54,-11.76,;-2.21,-10.99,;-2.2,-9.45,;-.87,-11.77,;.47,-11,;1.8,-11.78,;1.78,-13.32,;3.11,-14.1,;4.45,-13.33,;4.46,-11.79,;5.8,-11.03,;7.13,-11.82,;7.12,-13.35,;5.79,-14.11,;8.47,-11.05,;9.8,-10.29,;11.11,-9.51,;11.1,-11.03,;11.09,-7.98,;12.4,-7.21,;14.52,-7.63,;14.56,-9.81,;12.43,-10.25,;13.73,-9.47,;13.71,-7.97,;.45,-14.09,;-.88,-13.32,;-7.55,-10.97,;-8.89,-11.74,;-10.22,-10.96,;-11.56,-11.72,)| Show InChI InChI=1S/C31H32N2O5/c1-36-28-12-5-23(19-29(28)37-2)20-32-30(34)24-6-10-27(11-7-24)38-26-8-3-22(4-9-26)13-16-31(35)21-33-17-14-25(31)15-18-33/h3-12,19,25,35H,14-15,17-18,20-21H2,1-2H3,(H,32,34)/t31-/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	10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP13 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis				Bioorg Med Chem Lett 22: 271-7 (2011) Article DOI: 10.1016/j.bmcl.2011.11.034 BindingDB Entry DOI: 10.7270/Q20R9PTN
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50309525 (2-(5-(4-(4-fluorobenzyl)piperidine-1-carbonyl)-6-m...) Show SMILES COc1cc2[nH]cc(C(=O)C(=O)N(C)C)c2cc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1 Show InChI InChI=1S/C26H28FN3O4/c1-29(2)26(33)24(31)21-15-28-22-14-23(34-3)20(13-19(21)22)25(32)30-10-8-17(9-11-30)12-16-4-6-18(27)7-5-16/h4-7,13-15,17,28H,8-12H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Scios Inc. Curated by ChEMBL					Assay Description Inhibition of p38alpha assessed as inhibition of gamma-32p-ATP incorporation into biotin peptide substrate after 60 mins by scintillation counter				Bioorg Med Chem Lett 20: 2556-9 (2010) Article DOI: 10.1016/j.bmcl.2010.02.088 BindingDB Entry DOI: 10.7270/Q2VT1S84
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50274626 (4-(4-(1,2-dimethyl-1H-imidazol-5-yl)pyrimidin-2-yl...) Show SMILES Cc1ncc(-c2ccnc(Nc3ccc(cc3)S(N)(=O)=O)n2)n1C Show InChI InChI=1S/C15H16N6O2S/c1-10-18-9-14(21(10)2)13-7-8-17-15(20-13)19-11-3-5-12(6-4-11)24(16,22)23/h3-9H,1-2H3,(H2,16,22,23)(H,17,19,20)	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	11	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CDK2				Bioorg Med Chem Lett 18: 5487-92 (2008) Article DOI: 10.1016/j.bmcl.2008.09.024 BindingDB Entry DOI: 10.7270/Q2J9667K
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50315959 (CHEMBL1091614 | N-(4-aminobutyl)-N-(2-(4-hydroxycy...) Show SMILES NCCCCN(C(=O)c1ccc2OCCc2c1)c1ccnc(NC2CCC(O)CC2)n1 |(4.21,-2.5,;3.12,-3.6,;1.79,-2.83,;.46,-3.6,;-.87,-2.84,;-2.2,-3.61,;-2.2,-5.15,;-.87,-5.91,;-3.53,-5.92,;-3.52,-7.45,;-4.85,-8.22,;-6.19,-7.46,;-7.66,-7.94,;-8.57,-6.69,;-7.66,-5.44,;-6.19,-5.92,;-4.86,-5.14,;-3.54,-2.84,;-4.87,-3.61,;-6.21,-2.84,;-6.21,-1.3,;-4.88,-.53,;-4.88,1.01,;-3.55,1.78,;-2.21,1.02,;-.88,1.79,;-.88,3.33,;.45,4.09,;-2.21,4.1,;-3.55,3.33,;-3.54,-1.29,)| Show InChI InChI=1S/C23H31N5O3/c24-11-1-2-13-28(22(30)17-3-8-20-16(15-17)10-14-31-20)21-9-12-25-23(27-21)26-18-4-6-19(29)7-5-18/h3,8-9,12,15,18-19,29H,1-2,4-7,10-11,13-14,24H2,(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Scios Inc. Curated by ChEMBL					Assay Description Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting				Bioorg Med Chem Lett 20: 2560-3 (2010) Article DOI: 10.1016/j.bmcl.2010.02.090 BindingDB Entry DOI: 10.7270/Q2BV7GS3
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50384389 (CHEMBL2031461) Show SMILES CN1CCN(CC1)c1ccc2ncn(-c3cc(ccc3C)C(=O)Nc3ccon3)c(=O)c2c1 Show InChI InChI=1S/C24H24N6O3/c1-16-3-4-17(23(31)26-22-7-12-33-27-22)13-21(16)30-15-25-20-6-5-18(14-19(20)24(30)32)29-10-8-28(2)9-11-29/h3-7,12-15H,8-11H2,1-2H3,(H,26,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of p38alpha-mediated TNFalpha secretion in LPS-stimulated human whole blood				Bioorg Med Chem Lett 22: 3879-83 (2012) Article DOI: 10.1016/j.bmcl.2012.04.116 BindingDB Entry DOI: 10.7270/Q2VH5PWC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50384364 (CHEMBL2031462) Show SMILES CN1CCN(CC1)c1ccc2ncn(-c3cc(ccc3C)C(=O)Nc3ccno3)c(=O)c2c1 Show InChI InChI=1S/C24H24N6O3/c1-16-3-4-17(23(31)27-22-7-8-26-33-22)13-21(16)30-15-25-20-6-5-18(14-19(20)24(30)32)29-11-9-28(2)10-12-29/h3-8,13-15H,9-12H2,1-2H3,(H,27,31)	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	11	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of p38alpha kinase				Bioorg Med Chem Lett 22: 3879-83 (2012) Article DOI: 10.1016/j.bmcl.2012.04.116 BindingDB Entry DOI: 10.7270/Q2VH5PWC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50384389 (CHEMBL2031461) Show SMILES CN1CCN(CC1)c1ccc2ncn(-c3cc(ccc3C)C(=O)Nc3ccon3)c(=O)c2c1 Show InChI InChI=1S/C24H24N6O3/c1-16-3-4-17(23(31)26-22-7-12-33-27-22)13-21(16)30-15-25-20-6-5-18(14-19(20)24(30)32)29-10-8-28(2)9-11-29/h3-7,12-15H,8-11H2,1-2H3,(H,26,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	11.2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of p38alpha-mediated TNFalpha secretion in LPS-stimulated human whole blood				Bioorg Med Chem Lett 22: 3879-83 (2012) Article DOI: 10.1016/j.bmcl.2012.04.116 BindingDB Entry DOI: 10.7270/Q2VH5PWC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50384364 (CHEMBL2031462) Show SMILES CN1CCN(CC1)c1ccc2ncn(-c3cc(ccc3C)C(=O)Nc3ccno3)c(=O)c2c1 Show InChI InChI=1S/C24H24N6O3/c1-16-3-4-17(23(31)27-22-7-8-26-33-22)13-21(16)30-15-25-20-6-5-18(14-19(20)24(30)32)29-11-9-28(2)10-12-29/h3-8,13-15H,9-12H2,1-2H3,(H,27,31)	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	11.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of p38alpha kinase				Bioorg Med Chem Lett 22: 3879-83 (2012) Article DOI: 10.1016/j.bmcl.2012.04.116 BindingDB Entry DOI: 10.7270/Q2VH5PWC
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7659 (4-[(4-{imidazo[1,2-a]pyridin-3-yl}pyrimidin-2-yl)a...) Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc3ccccn23)cc1 Show InChI InChI=1S/C20H20N6O3S/c1-29-13-11-23-30(27,28)16-7-5-15(6-8-16)24-20-21-10-9-17(25-20)18-14-22-19-4-2-3-12-26(18)19/h2-10,12,14,23H,11,13H2,1H3,(H,21,24,25)	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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CDK2				Bioorg Med Chem Lett 18: 5487-92 (2008) Article DOI: 10.1016/j.bmcl.2008.09.024 BindingDB Entry DOI: 10.7270/Q2J9667K
					More data for this Ligand-Target Pair				3D Structure (docked)
Collagenase 3 (Homo sapiens (Human))	BDBM50026717 (CHEMBL1940278) Show SMILES C[C@@H](NC(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1)c1ccncc1 |r,wU:18.19,1.0,(18.05,-6.59,;18.05,-8.13,;19.38,-8.91,;20.72,-8.14,;20.73,-6.6,;22.05,-8.92,;23.39,-8.15,;24.72,-8.93,;24.71,-10.47,;26.04,-11.25,;27.38,-10.48,;27.39,-8.94,;28.73,-8.18,;30.06,-8.97,;30.05,-10.5,;28.72,-11.26,;31.39,-8.2,;32.73,-7.44,;34.04,-6.66,;34.03,-8.18,;34.02,-5.13,;35.33,-4.36,;37.45,-4.78,;37.49,-6.96,;35.36,-7.4,;36.66,-6.62,;36.64,-5.12,;23.38,-11.24,;22.05,-10.47,;16.71,-8.9,;15.37,-8.12,;14.04,-8.89,;14.03,-10.43,;15.37,-11.21,;16.7,-10.44,)| Show InChI InChI=1S/C29H29N3O3/c1-21(23-11-16-30-17-12-23)31-28(33)24-4-8-27(9-5-24)35-26-6-2-22(3-7-26)10-15-29(34)20-32-18-13-25(29)14-19-32/h2-9,11-12,16-17,21,25,34H,13-14,18-20H2,1H3,(H,31,33)/t21-,29+/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	13	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP13 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis				Bioorg Med Chem Lett 22: 271-7 (2011) Article DOI: 10.1016/j.bmcl.2011.11.034 BindingDB Entry DOI: 10.7270/Q20R9PTN
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50274806 (4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-((t...) Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(=O)(=O)CC2CCCO2)n1 Show InChI InChI=1S/C22H27N5O3S/c1-15(2)27-16(3)24-13-21(27)20-10-11-23-22(26-20)25-17-6-8-19(9-7-17)31(28,29)14-18-5-4-12-30-18/h6-11,13,15,18H,4-5,12,14H2,1-3H3,(H,23,25,26)	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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CDK2				Bioorg Med Chem Lett 18: 5487-92 (2008) Article DOI: 10.1016/j.bmcl.2008.09.024 BindingDB Entry DOI: 10.7270/Q2J9667K
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50315931 ((S)-N-ethyl-3-methyl-N-(2-(1-phenylethylamino)pyri...) Show SMILES CCN(C(=O)c1cccc(C)c1)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r| Show InChI InChI=1S/C22H24N4O/c1-4-26(21(27)19-12-8-9-16(2)15-19)20-13-14-23-22(25-20)24-17(3)18-10-6-5-7-11-18/h5-15,17H,4H2,1-3H3,(H,23,24,25)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Scios Inc. Curated by ChEMBL					Assay Description Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting				Bioorg Med Chem Lett 20: 2560-3 (2010) Article DOI: 10.1016/j.bmcl.2010.02.090 BindingDB Entry DOI: 10.7270/Q2BV7GS3
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50274805 (4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(2-...) Show SMILES COCCS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1 Show InChI InChI=1S/C20H25N5O3S/c1-14(2)25-15(3)22-13-19(25)18-9-10-21-20(24-18)23-16-5-7-17(8-6-16)29(26,27)12-11-28-4/h5-10,13-14H,11-12H2,1-4H3,(H,21,23,24)	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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CDK2				Bioorg Med Chem Lett 18: 5487-92 (2008) Article DOI: 10.1016/j.bmcl.2008.09.024 BindingDB Entry DOI: 10.7270/Q2J9667K
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50384365 (CHEMBL2031229) Show SMILES CN1CCN(CC1)c1ccc2ncn(-c3cc(NC(=O)c4ccccc4F)ccc3C)c(=O)c2c1 Show InChI InChI=1S/C27H26FN5O2/c1-18-7-8-19(30-26(34)21-5-3-4-6-23(21)28)15-25(18)33-17-29-24-10-9-20(16-22(24)27(33)35)32-13-11-31(2)12-14-32/h3-10,15-17H,11-14H2,1-2H3,(H,30,34)	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	14	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of p38alpha kinase				Bioorg Med Chem Lett 22: 3879-83 (2012) Article DOI: 10.1016/j.bmcl.2012.04.116 BindingDB Entry DOI: 10.7270/Q2VH5PWC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50384365 (CHEMBL2031229) Show SMILES CN1CCN(CC1)c1ccc2ncn(-c3cc(NC(=O)c4ccccc4F)ccc3C)c(=O)c2c1 Show InChI InChI=1S/C27H26FN5O2/c1-18-7-8-19(30-26(34)21-5-3-4-6-23(21)28)15-25(18)33-17-29-24-10-9-20(16-22(24)27(33)35)32-13-11-31(2)12-14-32/h3-10,15-17H,11-14H2,1-2H3,(H,30,34)	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	14.1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of p38alpha kinase				Bioorg Med Chem Lett 22: 3879-83 (2012) Article DOI: 10.1016/j.bmcl.2012.04.116 BindingDB Entry DOI: 10.7270/Q2VH5PWC
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50274699 (4-(4-(1-isobutyl-2-methyl-1H-imidazol-5-yl)pyrimid...) Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2CC(C)C)cc1 Show InChI InChI=1S/C21H28N6O3S/c1-15(2)14-27-16(3)23-13-20(27)19-9-10-22-21(26-19)25-17-5-7-18(8-6-17)31(28,29)24-11-12-30-4/h5-10,13,15,24H,11-12,14H2,1-4H3,(H,22,25,26)	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	15	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CDK2				Bioorg Med Chem Lett 18: 5487-92 (2008) Article DOI: 10.1016/j.bmcl.2008.09.024 BindingDB Entry DOI: 10.7270/Q2J9667K
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50384378 (CHEMBL2031222) Show SMILES CN1CCN(CC1)c1ccc2ncn(-c3cc(NC(=O)c4ccccc4)ccc3C)c(=O)c2c1 Show InChI InChI=1S/C27H27N5O2/c1-19-8-9-21(29-26(33)20-6-4-3-5-7-20)16-25(19)32-18-28-24-11-10-22(17-23(24)27(32)34)31-14-12-30(2)13-15-31/h3-11,16-18H,12-15H2,1-2H3,(H,29,33)	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	15	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of p38alpha kinase				Bioorg Med Chem Lett 22: 3879-83 (2012) Article DOI: 10.1016/j.bmcl.2012.04.116 BindingDB Entry DOI: 10.7270/Q2VH5PWC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50384378 (CHEMBL2031222) Show SMILES CN1CCN(CC1)c1ccc2ncn(-c3cc(NC(=O)c4ccccc4)ccc3C)c(=O)c2c1 Show InChI InChI=1S/C27H27N5O2/c1-19-8-9-21(29-26(33)20-6-4-3-5-7-20)16-25(19)32-18-28-24-11-10-22(17-23(24)27(32)34)31-14-12-30(2)13-15-31/h3-11,16-18H,12-15H2,1-2H3,(H,29,33)	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	15.1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of p38alpha kinase				Bioorg Med Chem Lett 22: 3879-83 (2012) Article DOI: 10.1016/j.bmcl.2012.04.116 BindingDB Entry DOI: 10.7270/Q2VH5PWC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50384385 (CHEMBL2031238) Show SMILES CN1CCN(CC1)c1ccc2ncn(-c3cc(NC(=O)c4ccoc4)ccc3C)c(=O)c2c1 Show InChI InChI=1S/C25H25N5O3/c1-17-3-4-19(27-24(31)18-7-12-33-15-18)13-23(17)30-16-26-22-6-5-20(14-21(22)25(30)32)29-10-8-28(2)9-11-29/h3-7,12-16H,8-11H2,1-2H3,(H,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	15.8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of p38alpha-mediated TNFalpha secretion in LPS-stimulated human whole blood assessed as IC50 equals to free drug concentration at human wh...				Bioorg Med Chem Lett 22: 3879-83 (2012) Article DOI: 10.1016/j.bmcl.2012.04.116 BindingDB Entry DOI: 10.7270/Q2VH5PWC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50384367 (CHEMBL2031465) Show SMILES CN1CCN(CC1)c1ccc2ncn(-c3cc(ccc3C)C(=O)NC3CC3)c(=O)c2c1 Show InChI InChI=1S/C24H27N5O2/c1-16-3-4-17(23(30)26-18-5-6-18)13-22(16)29-15-25-21-8-7-19(14-20(21)24(29)31)28-11-9-27(2)10-12-28/h3-4,7-8,13-15,18H,5-6,9-12H2,1-2H3,(H,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	15.8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of p38alpha kinase				Bioorg Med Chem Lett 22: 3879-83 (2012) Article DOI: 10.1016/j.bmcl.2012.04.116 BindingDB Entry DOI: 10.7270/Q2VH5PWC
					More data for this Ligand-Target Pair				3D Structure (crystal)
G2/mitotic-specific cyclin-B1 (Homo sapiens (Human))	BDBM50246253 (4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(me...) Show SMILES CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(C)(=O)=O)n1 Show InChI InChI=1S/C18H21N5O2S/c1-12(2)23-13(3)20-11-17(23)16-9-10-19-18(22-16)21-14-5-7-15(8-6-14)26(4,24)25/h5-12H,1-4H3,(H,19,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Cyclin B1/CDK1				Bioorg Med Chem Lett 18: 5487-92 (2008) Article DOI: 10.1016/j.bmcl.2008.09.024 BindingDB Entry DOI: 10.7270/Q2J9667K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50384367 (CHEMBL2031465) Show SMILES CN1CCN(CC1)c1ccc2ncn(-c3cc(ccc3C)C(=O)NC3CC3)c(=O)c2c1 Show InChI InChI=1S/C24H27N5O2/c1-16-3-4-17(23(30)26-18-5-6-18)13-22(16)29-15-25-21-8-7-19(14-20(21)24(29)31)28-11-9-27(2)10-12-28/h3-4,7-8,13-15,18H,5-6,9-12H2,1-2H3,(H,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of p38alpha kinase				Bioorg Med Chem Lett 22: 3879-83 (2012) Article DOI: 10.1016/j.bmcl.2012.04.116 BindingDB Entry DOI: 10.7270/Q2VH5PWC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50315917 ((S)-N-ethyl-N-(2-(1-phenylethylamino)pyrimidin-4-y...) Show SMILES CCN(C(=O)c1ccc2OCCc2c1)c1ccnc(N[C@@H](C)c2ccccc2)n1 |r| Show InChI InChI=1S/C23H24N4O2/c1-3-27(22(28)19-9-10-20-18(15-19)12-14-29-20)21-11-13-24-23(26-21)25-16(2)17-7-5-4-6-8-17/h4-11,13,15-16H,3,12,14H2,1-2H3,(H,24,25,26)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Scios Inc. Curated by ChEMBL					Assay Description Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting				Bioorg Med Chem Lett 20: 2560-3 (2010) Article DOI: 10.1016/j.bmcl.2010.02.090 BindingDB Entry DOI: 10.7270/Q2BV7GS3
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50315958 (CHEMBL1089655 | N-(4-aminobutyl)-N-(2-(isopropylam...) Show SMILES CC(C)Nc1nccc(n1)N(CCCCN)C(=O)c1ccc2OCCc2c1 Show InChI InChI=1S/C20H27N5O2/c1-14(2)23-20-22-10-7-18(24-20)25(11-4-3-9-21)19(26)16-5-6-17-15(13-16)8-12-27-17/h5-7,10,13-14H,3-4,8-9,11-12,21H2,1-2H3,(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Scios Inc. Curated by ChEMBL					Assay Description Inhibition of human p38alpha assessed as gamma-[32P]ATP incorporation after 60 mins by scintillation counting				Bioorg Med Chem Lett 20: 2560-3 (2010) Article DOI: 10.1016/j.bmcl.2010.02.090 BindingDB Entry DOI: 10.7270/Q2BV7GS3
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50384367 (CHEMBL2031465) Show SMILES CN1CCN(CC1)c1ccc2ncn(-c3cc(ccc3C)C(=O)NC3CC3)c(=O)c2c1 Show InChI InChI=1S/C24H27N5O2/c1-16-3-4-17(23(30)26-18-5-6-18)13-22(16)29-15-25-21-8-7-19(14-20(21)24(29)31)28-11-9-27(2)10-12-28/h3-4,7-8,13-15,18H,5-6,9-12H2,1-2H3,(H,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	17.4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of p38alpha-mediated TNFalpha secretion in LPS-stimulated human whole blood assessed as IC50 equals to free drug concentration at human wh...				Bioorg Med Chem Lett 22: 3879-83 (2012) Article DOI: 10.1016/j.bmcl.2012.04.116 BindingDB Entry DOI: 10.7270/Q2VH5PWC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50153846 (4-methyl-1-[3-(1,4-oxazinan-4-yl)phenylcarboxamido...) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)N2CCOCC2)cc1NC(=O)c1ccc(OCc2cscn2)cc1 Show InChI InChI=1S/C29H28N4O4S/c1-20-5-8-23(31-29(35)22-3-2-4-25(15-22)33-11-13-36-14-12-33)16-27(20)32-28(34)21-6-9-26(10-7-21)37-17-24-18-38-19-30-24/h2-10,15-16,18-19H,11-14,17H2,1H3,(H,31,35)(H,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	18	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of p38alpha kinase				Bioorg Med Chem Lett 22: 3879-83 (2012) Article DOI: 10.1016/j.bmcl.2012.04.116 BindingDB Entry DOI: 10.7270/Q2VH5PWC
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 542 total )  |  Next  |  Last  >>

Jump to: