Compile Data Set for Download or QSAR

Found 81 hits with Last Name = 'sastry' and Initial = 'gn'   

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
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane after 90 mins by scintillation counting				Eur J Med Chem 45: 1739-45 (2010) Article DOI: 10.1016/j.ejmech.2009.12.075 BindingDB Entry DOI: 10.7270/Q2N016NW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50316843 (2-Phenyl-4-(prop-2-yn-1-yloxy)-5,6,7,8-tetrahydro[...) Show SMILES C#CCOc1nc(nc2sc3CCCCc3c12)-c1ccccc1 Show InChI InChI=1S/C19H16N2OS/c1-2-12-22-18-16-14-10-6-7-11-15(14)23-19(16)21-17(20-18)13-8-4-3-5-9-13/h1,3-5,8-9H,6-7,10-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane after 30 mins by scintillation counting				Eur J Med Chem 45: 1739-45 (2010) Article DOI: 10.1016/j.ejmech.2009.12.075 BindingDB Entry DOI: 10.7270/Q2N016NW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50316849 (2-(4-Fluorobenzyl)-5,6-dimethyl-3-prop-2-yn-1-ylth...) Show SMILES Cc1sc2nc(Cc3ccc(F)cc3)n(CC#C)c(=O)c2c1C Show InChI InChI=1S/C18H15FN2OS/c1-4-9-21-15(10-13-5-7-14(19)8-6-13)20-17-16(18(21)22)11(2)12(3)23-17/h1,5-8H,9-10H2,2-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane after 90 mins by scintillation counting				Eur J Med Chem 45: 1739-45 (2010) Article DOI: 10.1016/j.ejmech.2009.12.075 BindingDB Entry DOI: 10.7270/Q2N016NW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50316851 (2-Phenyl-3-prop-2-yn-1-yl-3,5,6,7-tetrahydro-4H-cy...) Show SMILES O=c1n(CC#C)c(nc2sc3CCCc3c12)-c1ccccc1 Show InChI InChI=1S/C18H14N2OS/c1-2-11-20-16(12-7-4-3-5-8-12)19-17-15(18(20)21)13-9-6-10-14(13)22-17/h1,3-5,7-8H,6,9-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane after 90 mins by scintillation counting				Eur J Med Chem 45: 1739-45 (2010) Article DOI: 10.1016/j.ejmech.2009.12.075 BindingDB Entry DOI: 10.7270/Q2N016NW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50316847 (2,5,6-Trimethyl-3-prop-2-yn-1-ylthieno[2,3-d]pyrim...) Show SMILES Cc1sc2nc(C)n(CC#C)c(=O)c2c1C Show InChI InChI=1S/C12H12N2OS/c1-5-6-14-9(4)13-11-10(12(14)15)7(2)8(3)16-11/h1H,6H2,2-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane after 90 mins by scintillation counting				Eur J Med Chem 45: 1739-45 (2010) Article DOI: 10.1016/j.ejmech.2009.12.075 BindingDB Entry DOI: 10.7270/Q2N016NW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50316850 (2-Methyl-3-prop-2-yn-1-yl-3,5,6,7-tetrahydro-4H-cy...) Show SMILES Cc1nc2sc3CCCc3c2c(=O)n1CC#C Show InChI InChI=1S/C13H12N2OS/c1-3-7-15-8(2)14-12-11(13(15)16)9-5-4-6-10(9)17-12/h1H,4-7H2,2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane after 90 mins by scintillation counting				Eur J Med Chem 45: 1739-45 (2010) Article DOI: 10.1016/j.ejmech.2009.12.075 BindingDB Entry DOI: 10.7270/Q2N016NW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50316845 (2-Methyl-3-prop-2-yn-1-yl-5, 6, 7, 8-tetrahydro [1...) Show SMILES Cc1nc2sc3CCCCc3c2c(=O)n1CC#C Show InChI InChI=1S/C14H14N2OS/c1-3-8-16-9(2)15-13-12(14(16)17)10-6-4-5-7-11(10)18-13/h1H,4-8H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane after 30 mins by scintillation counting				Eur J Med Chem 45: 1739-45 (2010) Article DOI: 10.1016/j.ejmech.2009.12.075 BindingDB Entry DOI: 10.7270/Q2N016NW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50316846 (2-(4-Fluorobenzyl)-3-prop-2-yn-1-yl-5,6,7,8-tetrah...) Show SMILES Fc1ccc(Cc2nc3sc4CCCCc4c3c(=O)n2CC#C)cc1 Show InChI InChI=1S/C20H17FN2OS/c1-2-11-23-17(12-13-7-9-14(21)10-8-13)22-19-18(20(23)24)15-5-3-4-6-16(15)25-19/h1,7-10H,3-6,11-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane after 30 mins by scintillation counting				Eur J Med Chem 45: 1739-45 (2010) Article DOI: 10.1016/j.ejmech.2009.12.075 BindingDB Entry DOI: 10.7270/Q2N016NW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50316850 (2-Methyl-3-prop-2-yn-1-yl-3,5,6,7-tetrahydro-4H-cy...) Show SMILES Cc1nc2sc3CCCc3c2c(=O)n1CC#C Show InChI InChI=1S/C13H12N2OS/c1-3-7-15-8(2)14-12-11(13(15)16)9-5-4-6-10(9)17-12/h1H,4-7H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane after 30 mins by scintillation counting				Eur J Med Chem 45: 1739-45 (2010) Article DOI: 10.1016/j.ejmech.2009.12.075 BindingDB Entry DOI: 10.7270/Q2N016NW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50316846 (2-(4-Fluorobenzyl)-3-prop-2-yn-1-yl-5,6,7,8-tetrah...) Show SMILES Fc1ccc(Cc2nc3sc4CCCCc4c3c(=O)n2CC#C)cc1 Show InChI InChI=1S/C20H17FN2OS/c1-2-11-23-17(12-13-7-9-14(21)10-8-13)22-19-18(20(23)24)15-5-3-4-6-16(15)25-19/h1,7-10H,3-6,11-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane after 90 mins by scintillation counting				Eur J Med Chem 45: 1739-45 (2010) Article DOI: 10.1016/j.ejmech.2009.12.075 BindingDB Entry DOI: 10.7270/Q2N016NW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50316848 (5,6-Dimethyl-2-phenyl-3-prop-2-yn-1-ylthieno[2, 3-...) Show SMILES Cc1sc2nc(-c3ccccc3)n(CC#C)c(=O)c2c1C Show InChI InChI=1S/C17H14N2OS/c1-4-10-19-15(13-8-6-5-7-9-13)18-16-14(17(19)20)11(2)12(3)21-16/h1,5-9H,10H2,2-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane after 30 mins by scintillation counting				Eur J Med Chem 45: 1739-45 (2010) Article DOI: 10.1016/j.ejmech.2009.12.075 BindingDB Entry DOI: 10.7270/Q2N016NW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	157	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane after 30 mins by scintillation counting				Eur J Med Chem 45: 1739-45 (2010) Article DOI: 10.1016/j.ejmech.2009.12.075 BindingDB Entry DOI: 10.7270/Q2N016NW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50316847 (2,5,6-Trimethyl-3-prop-2-yn-1-ylthieno[2,3-d]pyrim...) Show SMILES Cc1sc2nc(C)n(CC#C)c(=O)c2c1C Show InChI InChI=1S/C12H12N2OS/c1-5-6-14-9(4)13-11-10(12(14)15)7(2)8(3)16-11/h1H,6H2,2-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.79E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane after 30 mins by scintillation counting				Eur J Med Chem 45: 1739-45 (2010) Article DOI: 10.1016/j.ejmech.2009.12.075 BindingDB Entry DOI: 10.7270/Q2N016NW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50316849 (2-(4-Fluorobenzyl)-5,6-dimethyl-3-prop-2-yn-1-ylth...) Show SMILES Cc1sc2nc(Cc3ccc(F)cc3)n(CC#C)c(=O)c2c1C Show InChI InChI=1S/C18H15FN2OS/c1-4-9-21-15(10-13-5-7-14(19)8-6-13)20-17-16(18(21)22)11(2)12(3)23-17/h1,5-8H,9-10H2,2-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane after 30 mins by scintillation counting				Eur J Med Chem 45: 1739-45 (2010) Article DOI: 10.1016/j.ejmech.2009.12.075 BindingDB Entry DOI: 10.7270/Q2N016NW
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50316851 (2-Phenyl-3-prop-2-yn-1-yl-3,5,6,7-tetrahydro-4H-cy...) Show SMILES O=c1n(CC#C)c(nc2sc3CCCc3c12)-c1ccccc1 Show InChI InChI=1S/C18H14N2OS/c1-2-11-20-16(12-7-4-3-5-8-12)19-17-15(18(20)21)13-9-6-10-14(13)22-17/h1,3-5,7-8H,6,9-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Chemical Technology Curated by ChEMBL					Assay Description Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane after 30 mins by scintillation counting				Eur J Med Chem 45: 1739-45 (2010) Article DOI: 10.1016/j.ejmech.2009.12.075 BindingDB Entry DOI: 10.7270/Q2N016NW
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099348 (2-(2,4-Dimethyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-...) Show SMILES Cc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c(C)c1 Show InChI InChI=1S/C26H26FN5O/c1-17-3-8-23(18(2)15-17)33-26-29-14-11-22(31-26)25-24(19-4-6-20(27)7-5-19)30-16-32(25)21-9-12-28-13-10-21/h3-8,11,14-16,21,28H,9-10,12-13H2,1-2H3	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
University College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of p38alpha				Eur J Med Chem 43: 830-8 (2008) Article DOI: 10.1016/j.ejmech.2007.06.009 BindingDB Entry DOI: 10.7270/Q28052ZC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099358 (2-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imid...) Show SMILES Oc1ccccc1Oc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C24H22FN5O2/c25-17-7-5-16(6-8-17)22-23(30(15-28-22)18-9-12-26-13-10-18)19-11-14-27-24(29-19)32-21-4-2-1-3-20(21)31/h1-8,11,14-15,18,26,31H,9-10,12-13H2	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	6.60	n/a	n/a	n/a	n/a	n/a	n/a
University College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of p38alpha				Eur J Med Chem 43: 830-8 (2008) Article DOI: 10.1016/j.ejmech.2007.06.009 BindingDB Entry DOI: 10.7270/Q28052ZC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099373 (2-(4-Ethyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piper...) Show SMILES CCc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1 Show InChI InChI=1S/C26H26FN5O/c1-2-18-3-9-22(10-4-18)33-26-29-16-13-23(31-26)25-24(19-5-7-20(27)8-6-19)30-17-32(25)21-11-14-28-15-12-21/h3-10,13,16-17,21,28H,2,11-12,14-15H2,1H3	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	7.40	n/a	n/a	n/a	n/a	n/a	n/a
University College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of p38alpha				Eur J Med Chem 43: 830-8 (2008) Article DOI: 10.1016/j.ejmech.2007.06.009 BindingDB Entry DOI: 10.7270/Q28052ZC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099345 (2-(2,5-Dimethyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-...) Show SMILES Cc1ccc(C)c(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1 Show InChI InChI=1S/C26H26FN5O/c1-17-3-4-18(2)23(15-17)33-26-29-14-11-22(31-26)25-24(19-5-7-20(27)8-6-19)30-16-32(25)21-9-12-28-13-10-21/h3-8,11,14-16,21,28H,9-10,12-13H2,1-2H3	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
University College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of p38alpha				Eur J Med Chem 43: 830-8 (2008) Article DOI: 10.1016/j.ejmech.2007.06.009 BindingDB Entry DOI: 10.7270/Q28052ZC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099343 (2-(2-Fluoro-phenoxy)-4-[5-(4-fluoro-phenyl)-3-pipe...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2ccccc2F)n1 Show InChI InChI=1S/C24H21F2N5O/c25-17-7-5-16(6-8-17)22-23(31(15-29-22)18-9-12-27-13-10-18)20-11-14-28-24(30-20)32-21-4-2-1-3-19(21)26/h1-8,11,14-15,18,27H,9-10,12-13H2	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
University College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of p38alpha				Eur J Med Chem 43: 830-8 (2008) Article DOI: 10.1016/j.ejmech.2007.06.009 BindingDB Entry DOI: 10.7270/Q28052ZC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099367 (4-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imid...) Show SMILES Oc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1 Show InChI InChI=1S/C24H22FN5O2/c25-17-3-1-16(2-4-17)22-23(30(15-28-22)18-9-12-26-13-10-18)21-11-14-27-24(29-21)32-20-7-5-19(31)6-8-20/h1-8,11,14-15,18,26,31H,9-10,12-13H2	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	14	n/a	n/a	n/a	n/a	n/a	n/a
University College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of p38alpha				Eur J Med Chem 43: 830-8 (2008) Article DOI: 10.1016/j.ejmech.2007.06.009 BindingDB Entry DOI: 10.7270/Q28052ZC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099349 (2-(2,3-Dimethyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-...) Show SMILES Cc1cccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1C Show InChI InChI=1S/C26H26FN5O/c1-17-4-3-5-23(18(17)2)33-26-29-15-12-22(31-26)25-24(19-6-8-20(27)9-7-19)30-16-32(25)21-10-13-28-14-11-21/h3-9,12,15-16,21,28H,10-11,13-14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of p38alpha				Eur J Med Chem 43: 830-8 (2008) Article DOI: 10.1016/j.ejmech.2007.06.009 BindingDB Entry DOI: 10.7270/Q28052ZC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099342 (4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazo...) Show SMILES Cc1ccccc1Oc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C25H24FN5O/c1-17-4-2-3-5-22(17)32-25-28-15-12-21(30-25)24-23(18-6-8-19(26)9-7-18)29-16-31(24)20-10-13-27-14-11-20/h2-9,12,15-16,20,27H,10-11,13-14H2,1H3	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	15	n/a	n/a	n/a	n/a	n/a	n/a
University College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of p38alpha				Eur J Med Chem 43: 830-8 (2008) Article DOI: 10.1016/j.ejmech.2007.06.009 BindingDB Entry DOI: 10.7270/Q28052ZC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099374 (4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazo...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2ccccc2)n1 Show InChI InChI=1S/C24H22FN5O/c25-18-8-6-17(7-9-18)22-23(30(16-28-22)19-10-13-26-14-11-19)21-12-15-27-24(29-21)31-20-4-2-1-3-5-20/h1-9,12,15-16,19,26H,10-11,13-14H2	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	19	n/a	n/a	n/a	n/a	n/a	n/a
University College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of p38alpha				Eur J Med Chem 43: 830-8 (2008) Article DOI: 10.1016/j.ejmech.2007.06.009 BindingDB Entry DOI: 10.7270/Q28052ZC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099352 (4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazo...) Show SMILES Cc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1 Show InChI InChI=1S/C25H24FN5O/c1-17-2-8-21(9-3-17)32-25-28-15-12-22(30-25)24-23(18-4-6-19(26)7-5-18)29-16-31(24)20-10-13-27-14-11-20/h2-9,12,15-16,20,27H,10-11,13-14H2,1H3	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	19	n/a	n/a	n/a	n/a	n/a	n/a
University College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of p38alpha				Eur J Med Chem 43: 830-8 (2008) Article DOI: 10.1016/j.ejmech.2007.06.009 BindingDB Entry DOI: 10.7270/Q28052ZC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099341 (4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazo...) Show SMILES COc1cccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1 Show InChI InChI=1S/C25H24FN5O2/c1-32-20-3-2-4-21(15-20)33-25-28-14-11-22(30-25)24-23(17-5-7-18(26)8-6-17)29-16-31(24)19-9-12-27-13-10-19/h2-8,11,14-16,19,27H,9-10,12-13H2,1H3	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	20	n/a	n/a	n/a	n/a	n/a	n/a
University College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of p38alpha				Eur J Med Chem 43: 830-8 (2008) Article DOI: 10.1016/j.ejmech.2007.06.009 BindingDB Entry DOI: 10.7270/Q28052ZC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099347 (2-(3,4-Dimethyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-...) Show SMILES Cc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1C Show InChI InChI=1S/C26H26FN5O/c1-17-3-8-22(15-18(17)2)33-26-29-14-11-23(31-26)25-24(19-4-6-20(27)7-5-19)30-16-32(25)21-9-12-28-13-10-21/h3-8,11,14-16,21,28H,9-10,12-13H2,1-2H3	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	22	n/a	n/a	n/a	n/a	n/a	n/a
University College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of p38alpha				Eur J Med Chem 43: 830-8 (2008) Article DOI: 10.1016/j.ejmech.2007.06.009 BindingDB Entry DOI: 10.7270/Q28052ZC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099338 (2-(Benzo[1,3]dioxol-5-yloxy)-4-[5-(4-fluoro-phenyl...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2ccc3OCOc3c2)n1 Show InChI InChI=1S/C25H22FN5O3/c26-17-3-1-16(2-4-17)23-24(31(14-29-23)18-7-10-27-11-8-18)20-9-12-28-25(30-20)34-19-5-6-21-22(13-19)33-15-32-21/h1-6,9,12-14,18,27H,7-8,10-11,15H2	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	23	n/a	n/a	n/a	n/a	n/a	n/a
University College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of p38alpha				Eur J Med Chem 43: 830-8 (2008) Article DOI: 10.1016/j.ejmech.2007.06.009 BindingDB Entry DOI: 10.7270/Q28052ZC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099334 (4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazo...) Show SMILES COc1ccccc1Oc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C25H24FN5O2/c1-32-21-4-2-3-5-22(21)33-25-28-15-12-20(30-25)24-23(17-6-8-18(26)9-7-17)29-16-31(24)19-10-13-27-14-11-19/h2-9,12,15-16,19,27H,10-11,13-14H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
University College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of p38alpha				Eur J Med Chem 43: 830-8 (2008) Article DOI: 10.1016/j.ejmech.2007.06.009 BindingDB Entry DOI: 10.7270/Q28052ZC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099353 (2-(2,6-Dimethyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-...) Show SMILES Cc1cccc(C)c1Oc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C26H26FN5O/c1-17-4-3-5-18(2)25(17)33-26-29-15-12-22(31-26)24-23(19-6-8-20(27)9-7-19)30-16-32(24)21-10-13-28-14-11-21/h3-9,12,15-16,21,28H,10-11,13-14H2,1-2H3	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	34.3	n/a	n/a	n/a	n/a	n/a	n/a
University College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of p38alpha				Eur J Med Chem 43: 830-8 (2008) Article DOI: 10.1016/j.ejmech.2007.06.009 BindingDB Entry DOI: 10.7270/Q28052ZC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099333 (2-(3,5-Dimethyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-...) Show SMILES Cc1cc(C)cc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1 Show InChI InChI=1S/C26H26FN5O/c1-17-13-18(2)15-22(14-17)33-26-29-12-9-23(31-26)25-24(19-3-5-20(27)6-4-19)30-16-32(25)21-7-10-28-11-8-21/h3-6,9,12-16,21,28H,7-8,10-11H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
University College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of p38alpha				Eur J Med Chem 43: 830-8 (2008) Article DOI: 10.1016/j.ejmech.2007.06.009 BindingDB Entry DOI: 10.7270/Q28052ZC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099365 (4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazo...) Show SMILES CC(C)c1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1 Show InChI InChI=1S/C27H28FN5O/c1-18(2)19-5-9-23(10-6-19)34-27-30-16-13-24(32-27)26-25(20-3-7-21(28)8-4-20)31-17-33(26)22-11-14-29-15-12-22/h3-10,13,16-18,22,29H,11-12,14-15H2,1-2H3	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	41	n/a	n/a	n/a	n/a	n/a	n/a
University College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of p38alpha				Eur J Med Chem 43: 830-8 (2008) Article DOI: 10.1016/j.ejmech.2007.06.009 BindingDB Entry DOI: 10.7270/Q28052ZC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099329 (3-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imid...) Show SMILES NC(=O)c1cccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1 Show InChI InChI=1S/C25H23FN6O2/c26-18-6-4-16(5-7-18)22-23(32(15-30-22)19-8-11-28-12-9-19)21-10-13-29-25(31-21)34-20-3-1-2-17(14-20)24(27)33/h1-7,10,13-15,19,28H,8-9,11-12H2,(H2,27,33)	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	56	n/a	n/a	n/a	n/a	n/a	n/a
University College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of p38alpha				Eur J Med Chem 43: 830-8 (2008) Article DOI: 10.1016/j.ejmech.2007.06.009 BindingDB Entry DOI: 10.7270/Q28052ZC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099328 (2-(Biphenyl-4-yloxy)-4-[5-(4-fluoro-phenyl)-3-pipe...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2ccc(cc2)-c2ccccc2)n1 Show InChI InChI=1S/C30H26FN5O/c31-24-10-6-23(7-11-24)28-29(36(20-34-28)25-14-17-32-18-15-25)27-16-19-33-30(35-27)37-26-12-8-22(9-13-26)21-4-2-1-3-5-21/h1-13,16,19-20,25,32H,14-15,17-18H2	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	60	n/a	n/a	n/a	n/a	n/a	n/a
University College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of p38alpha				Eur J Med Chem 43: 830-8 (2008) Article DOI: 10.1016/j.ejmech.2007.06.009 BindingDB Entry DOI: 10.7270/Q28052ZC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099364 (3-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imid...) Show SMILES CNC(=O)c1cccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1 Show InChI InChI=1S/C26H25FN6O2/c1-28-25(34)18-3-2-4-21(15-18)35-26-30-14-11-22(32-26)24-23(17-5-7-19(27)8-6-17)31-16-33(24)20-9-12-29-13-10-20/h2-8,11,14-16,20,29H,9-10,12-13H2,1H3,(H,28,34)	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	75	n/a	n/a	n/a	n/a	n/a	n/a
University College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of p38alpha				Eur J Med Chem 43: 830-8 (2008) Article DOI: 10.1016/j.ejmech.2007.06.009 BindingDB Entry DOI: 10.7270/Q28052ZC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099340 (2-(4-tert-Butyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-...) Show SMILES CC(C)(C)c1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1 Show InChI InChI=1S/C28H30FN5O/c1-28(2,3)20-6-10-23(11-7-20)35-27-31-17-14-24(33-27)26-25(19-4-8-21(29)9-5-19)32-18-34(26)22-12-15-30-16-13-22/h4-11,14,17-18,22,30H,12-13,15-16H2,1-3H3	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	79	n/a	n/a	n/a	n/a	n/a	n/a
University College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of p38alpha				Eur J Med Chem 43: 830-8 (2008) Article DOI: 10.1016/j.ejmech.2007.06.009 BindingDB Entry DOI: 10.7270/Q28052ZC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099360 (4-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imid...) Show SMILES OC(=O)c1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1 Show InChI InChI=1S/C25H22FN5O3/c26-18-5-1-16(2-6-18)22-23(31(15-29-22)19-9-12-27-13-10-19)21-11-14-28-25(30-21)34-20-7-3-17(4-8-20)24(32)33/h1-8,11,14-15,19,27H,9-10,12-13H2,(H,32,33)	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	82	n/a	n/a	n/a	n/a	n/a	n/a
University College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of p38alpha				Eur J Med Chem 43: 830-8 (2008) Article DOI: 10.1016/j.ejmech.2007.06.009 BindingDB Entry DOI: 10.7270/Q28052ZC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50345778 (CHEMBL1784928 | ethyl 4-(4-(4-(4-fluorophenyl)-1-(...) Show SMILES CCOC(=O)c1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1 Show InChI InChI=1S/C27H26FN5O3/c1-2-35-26(34)19-5-9-22(10-6-19)36-27-30-16-13-23(32-27)25-24(18-3-7-20(28)8-4-18)31-17-33(25)21-11-14-29-15-12-21/h3-10,13,16-17,21,29H,2,11-12,14-15H2,1H3	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	85.4	n/a	n/a	n/a	n/a	n/a	n/a
University College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of p38alpha				Eur J Med Chem 43: 830-8 (2008) Article DOI: 10.1016/j.ejmech.2007.06.009 BindingDB Entry DOI: 10.7270/Q28052ZC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099350 (4-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imid...) Show SMILES NC(=O)c1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1 Show InChI InChI=1S/C25H23FN6O2/c26-18-5-1-16(2-6-18)22-23(32(15-30-22)19-9-12-28-13-10-19)21-11-14-29-25(31-21)34-20-7-3-17(4-8-20)24(27)33/h1-8,11,14-15,19,28H,9-10,12-13H2,(H2,27,33)	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	89.7	n/a	n/a	n/a	n/a	n/a	n/a
University College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of p38alpha				Eur J Med Chem 43: 830-8 (2008) Article DOI: 10.1016/j.ejmech.2007.06.009 BindingDB Entry DOI: 10.7270/Q28052ZC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099346 (2-(3-Fluoro-phenoxy)-4-[5-(4-fluoro-phenyl)-3-pipe...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2cccc(F)c2)n1 Show InChI InChI=1S/C24H21F2N5O/c25-17-6-4-16(5-7-17)22-23(31(15-29-22)19-8-11-27-12-9-19)21-10-13-28-24(30-21)32-20-3-1-2-18(26)14-20/h1-7,10,13-15,19,27H,8-9,11-12H2	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	95	n/a	n/a	n/a	n/a	n/a	n/a
University College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of p38alpha				Eur J Med Chem 43: 830-8 (2008) Article DOI: 10.1016/j.ejmech.2007.06.009 BindingDB Entry DOI: 10.7270/Q28052ZC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099366 (2-(4-Chloro-phenoxy)-4-[5-(4-fluoro-phenyl)-3-pipe...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C24H21ClFN5O/c25-17-3-7-20(8-4-17)32-24-28-14-11-21(30-24)23-22(16-1-5-18(26)6-2-16)29-15-31(23)19-9-12-27-13-10-19/h1-8,11,14-15,19,27H,9-10,12-13H2	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	114	n/a	n/a	n/a	n/a	n/a	n/a
University College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of p38alpha				Eur J Med Chem 43: 830-8 (2008) Article DOI: 10.1016/j.ejmech.2007.06.009 BindingDB Entry DOI: 10.7270/Q28052ZC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099332 ((4-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imi...) Show SMILES OC(=O)Cc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1 Show InChI InChI=1S/C26H24FN5O3/c27-19-5-3-18(4-6-19)24-25(32(16-30-24)20-9-12-28-13-10-20)22-11-14-29-26(31-22)35-21-7-1-17(2-8-21)15-23(33)34/h1-8,11,14,16,20,28H,9-10,12-13,15H2,(H,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	119	n/a	n/a	n/a	n/a	n/a	n/a
University College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of p38alpha				Eur J Med Chem 43: 830-8 (2008) Article DOI: 10.1016/j.ejmech.2007.06.009 BindingDB Entry DOI: 10.7270/Q28052ZC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099359 (4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazo...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2ccc(Oc3ccccc3)cc2)n1 Show InChI InChI=1S/C30H26FN5O2/c31-22-8-6-21(7-9-22)28-29(36(20-34-28)23-14-17-32-18-15-23)27-16-19-33-30(35-27)38-26-12-10-25(11-13-26)37-24-4-2-1-3-5-24/h1-13,16,19-20,23,32H,14-15,17-18H2	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	130	n/a	n/a	n/a	n/a	n/a	n/a
University College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of p38alpha				Eur J Med Chem 43: 830-8 (2008) Article DOI: 10.1016/j.ejmech.2007.06.009 BindingDB Entry DOI: 10.7270/Q28052ZC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099335 (4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazo...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2cccc(c2)C(F)(F)F)n1 Show InChI InChI=1S/C25H21F4N5O/c26-18-6-4-16(5-7-18)22-23(34(15-32-22)19-8-11-30-12-9-19)21-10-13-31-24(33-21)35-20-3-1-2-17(14-20)25(27,28)29/h1-7,10,13-15,19,30H,8-9,11-12H2	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	132	n/a	n/a	n/a	n/a	n/a	n/a
University College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of p38alpha				Eur J Med Chem 43: 830-8 (2008) Article DOI: 10.1016/j.ejmech.2007.06.009 BindingDB Entry DOI: 10.7270/Q28052ZC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50345779 (2-(2-(4-(4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-...) Show SMILES NC(=O)Cc1ccccc1Oc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C26H25FN6O2/c27-19-7-5-17(6-8-19)24-25(33(16-31-24)20-9-12-29-13-10-20)21-11-14-30-26(32-21)35-22-4-2-1-3-18(22)15-23(28)34/h1-8,11,14,16,20,29H,9-10,12-13,15H2,(H2,28,34)	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	134	n/a	n/a	n/a	n/a	n/a	n/a
University College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of p38alpha				Eur J Med Chem 43: 830-8 (2008) Article DOI: 10.1016/j.ejmech.2007.06.009 BindingDB Entry DOI: 10.7270/Q28052ZC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50345780 (3-(2-(4-(4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-...) Show SMILES NC(=O)CCc1ccccc1Oc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H27FN6O2/c28-20-8-5-19(6-9-20)25-26(34(17-32-25)21-11-14-30-15-12-21)22-13-16-31-27(33-22)36-23-4-2-1-3-18(23)7-10-24(29)35/h1-6,8-9,13,16-17,21,30H,7,10-12,14-15H2,(H2,29,35)	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	151	n/a	n/a	n/a	n/a	n/a	n/a
University College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of p38alpha				Eur J Med Chem 43: 830-8 (2008) Article DOI: 10.1016/j.ejmech.2007.06.009 BindingDB Entry DOI: 10.7270/Q28052ZC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099357 (2-(3,4-Dichloro-phenoxy)-4-[5-(4-fluoro-phenyl)-3-...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2ccc(Cl)c(Cl)c2)n1 Show InChI InChI=1S/C24H20Cl2FN5O/c25-19-6-5-18(13-20(19)26)33-24-29-12-9-21(31-24)23-22(15-1-3-16(27)4-2-15)30-14-32(23)17-7-10-28-11-8-17/h1-6,9,12-14,17,28H,7-8,10-11H2	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	165	n/a	n/a	n/a	n/a	n/a	n/a
University College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of p38alpha				Eur J Med Chem 43: 830-8 (2008) Article DOI: 10.1016/j.ejmech.2007.06.009 BindingDB Entry DOI: 10.7270/Q28052ZC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099356 (4-(4-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-i...) Show SMILES OC(=O)CCCc1ccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)cc1 Show InChI InChI=1S/C28H28FN5O3/c29-21-8-6-20(7-9-21)26-27(34(18-32-26)22-12-15-30-16-13-22)24-14-17-31-28(33-24)37-23-10-4-19(5-11-23)2-1-3-25(35)36/h4-11,14,17-18,22,30H,1-3,12-13,15-16H2,(H,35,36)	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	174	n/a	n/a	n/a	n/a	n/a	n/a
University College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of p38alpha				Eur J Med Chem 43: 830-8 (2008) Article DOI: 10.1016/j.ejmech.2007.06.009 BindingDB Entry DOI: 10.7270/Q28052ZC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099337 (4-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imid...) Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Oc2ccc(cc2)C#N)n1 Show InChI InChI=1S/C25H21FN6O/c26-19-5-3-18(4-6-19)23-24(32(16-30-23)20-9-12-28-13-10-20)22-11-14-29-25(31-22)33-21-7-1-17(15-27)2-8-21/h1-8,11,14,16,20,28H,9-10,12-13H2	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	177	n/a	n/a	n/a	n/a	n/a	n/a
University College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of p38alpha				Eur J Med Chem 43: 830-8 (2008) Article DOI: 10.1016/j.ejmech.2007.06.009 BindingDB Entry DOI: 10.7270/Q28052ZC
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50099371 (3-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imid...) Show SMILES CC(C)NC(=O)c1cccc(Oc2nccc(n2)-c2c(ncn2C2CCNCC2)-c2ccc(F)cc2)c1 Show InChI InChI=1S/C28H29FN6O2/c1-18(2)33-27(36)20-4-3-5-23(16-20)37-28-31-15-12-24(34-28)26-25(19-6-8-21(29)9-7-19)32-17-35(26)22-10-13-30-14-11-22/h3-9,12,15-18,22,30H,10-11,13-14H2,1-2H3,(H,33,36)	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	191	n/a	n/a	n/a	n/a	n/a	n/a
University College of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of p38alpha				Eur J Med Chem 43: 830-8 (2008) Article DOI: 10.1016/j.ejmech.2007.06.009 BindingDB Entry DOI: 10.7270/Q28052ZC
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 81 total )  |  Next  |  Last  >>

Jump to: