Compile Data Set for Download or QSAR

Found 248 hits with Last Name = 'balagué' and Initial = 'c'   

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))	BDBM50356004 (CHEMBL1911339) Show SMILES Cc1ccc2c(NC3CC3)noc2c1-c1ccc2c(NC(=O)C22CCC(F)(F)CC2)c1 Show InChI InChI=1S/C24H23F2N3O2/c1-13-2-6-16-20(31-29-21(16)27-15-4-5-15)19(13)14-3-7-17-18(12-14)28-22(30)23(17)8-10-24(25,26)11-9-23/h2-3,6-7,12,15H,4-5,8-11H2,1H3,(H,27,29)(H,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	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay				Bioorg Med Chem Lett 21: 6253-7 (2011) Article DOI: 10.1016/j.bmcl.2011.09.006 BindingDB Entry DOI: 10.7270/Q25B02W3
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50352565 (CHEMBL1825149) Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCSCC2)c1)C(=O)NC1CC1 Show InChI InChI=1S/C23H24N2O2S/c1-14-2-3-16(21(26)24-17-5-6-17)12-18(14)15-4-7-19-20(13-15)25-22(27)23(19)8-10-28-11-9-23/h2-4,7,12-13,17H,5-6,8-11H2,1H3,(H,24,26)(H,25,27)	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	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha using biotinylated ATF2 substrate by FRET assay				Bioorg Med Chem Lett 21: 5270-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.033 BindingDB Entry DOI: 10.7270/Q2KD1Z8K
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50352566 (CHEMBL1825148 | US8772288, 23) Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCOCC2)c1)C(=O)Nc1ccon1 Show InChI InChI=1S/C23H21N3O4/c1-14-2-3-16(21(27)25-20-6-9-30-26-20)12-17(14)15-4-5-18-19(13-15)24-22(28)23(18)7-10-29-11-8-23/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,24,28)(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	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha using biotinylated ATF2 substrate by FRET assay				Bioorg Med Chem Lett 21: 5270-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.033 BindingDB Entry DOI: 10.7270/Q2KD1Z8K
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50357914 (CHEMBL1916528) Show SMILES [O-][n+]1ccc2c(cc(NC3CCNCC3)nc2c1-c1c(Cl)cccc1Cl)-c1ccccc1Cl |(20.25,-36.83,;21.59,-36.06,;21.59,-34.52,;22.92,-33.75,;24.25,-34.51,;25.59,-33.73,;26.93,-34.51,;26.93,-36.06,;28.26,-36.83,;29.59,-36.07,;30.92,-36.85,;32.25,-36.09,;32.27,-34.55,;30.93,-33.77,;29.59,-34.53,;25.58,-36.83,;24.25,-36.06,;22.92,-36.83,;22.93,-38.37,;21.59,-39.14,;20.26,-38.37,;21.59,-40.68,;22.93,-41.45,;24.27,-40.66,;24.26,-39.13,;25.59,-38.35,;25.59,-32.2,;26.93,-31.43,;26.93,-29.89,;25.59,-29.12,;24.25,-29.9,;24.26,-31.44,;22.93,-32.21,)| Show InChI InChI=1S/C25H21Cl3N4O/c26-19-5-2-1-4-16(19)18-14-22(30-15-8-11-29-12-9-15)31-24-17(18)10-13-32(33)25(24)23-20(27)6-3-7-21(23)28/h1-7,10,13-15,29H,8-9,11-12H2,(H,30,31)	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	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha MAP kinase after 1 hr by FRET analysis				J Med Chem 54: 7899-910 (2011) Article DOI: 10.1021/jm200975u BindingDB Entry DOI: 10.7270/Q2MW2HKR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50356003 (CHEMBL1911338) Show SMILES Cc1ccc2c(NC3CC3)noc2c1-c1ccc2c(NC(=O)C22CCOCC2)c1 Show InChI InChI=1S/C23H23N3O3/c1-13-2-6-16-20(29-26-21(16)24-15-4-5-15)19(13)14-3-7-17-18(12-14)25-22(27)23(17)8-10-28-11-9-23/h2-3,6-7,12,15H,4-5,8-11H2,1H3,(H,24,26)(H,25,27)	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	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay				Bioorg Med Chem Lett 21: 6253-7 (2011) Article DOI: 10.1016/j.bmcl.2011.09.006 BindingDB Entry DOI: 10.7270/Q25B02W3
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50348312 (CHEMBL1800222 | US8772288, 12) Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCCC2)c1)C(=O)Nc1ccon1 Show InChI InChI=1S/C23H21N3O3/c1-14-4-5-16(21(27)25-20-8-11-29-26-20)12-17(14)15-6-7-18-19(13-15)24-22(28)23(18)9-2-3-10-23/h4-8,11-13H,2-3,9-10H2,1H3,(H,24,28)(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	0.220	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha by FRET assay				Bioorg Med Chem Lett 21: 4130-3 (2011) Article DOI: 10.1016/j.bmcl.2011.05.114 BindingDB Entry DOI: 10.7270/Q2NP25DM
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50357913 (CHEMBL1916527) Show SMILES [O-][n+]1ccc2c(cc(nc2c1-c1c(Cl)cccc1Cl)N1CCNCC1)-c1ccccc1Cl |(6.31,-36.87,;7.64,-36.1,;7.64,-34.56,;8.97,-33.79,;10.31,-34.55,;11.64,-33.77,;12.98,-34.55,;12.98,-36.1,;11.64,-36.87,;10.3,-36.1,;8.98,-36.87,;8.98,-38.4,;7.64,-39.18,;6.31,-38.41,;7.65,-40.71,;8.98,-41.48,;10.32,-40.7,;10.31,-39.17,;11.64,-38.39,;14.3,-36.87,;14.29,-38.41,;15.62,-39.18,;16.96,-38.42,;16.97,-36.88,;15.63,-36.1,;11.64,-32.24,;12.98,-31.47,;12.98,-29.93,;11.64,-29.16,;10.31,-29.94,;10.31,-31.48,;8.98,-32.25,)| Show InChI InChI=1S/C24H19Cl3N4O/c25-18-5-2-1-4-15(18)17-14-21(30-12-9-28-10-13-30)29-23-16(17)8-11-31(32)24(23)22-19(26)6-3-7-20(22)27/h1-8,11,14,28H,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 Similars	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha MAP kinase after 1 hr by FRET analysis				J Med Chem 54: 7899-910 (2011) Article DOI: 10.1021/jm200975u BindingDB Entry DOI: 10.7270/Q2MW2HKR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50357909 (CHEMBL1916523) Show SMILES [O-][n+]1ccc2c(cc(nc2c1-c1c(F)cccc1F)C1CCNCC1)-c1ccccc1Cl |(-8.74,-20.09,;-7.4,-19.32,;-7.4,-17.78,;-6.07,-17.01,;-4.74,-17.77,;-3.4,-16.99,;-2.06,-17.77,;-2.07,-19.32,;-3.41,-20.09,;-4.74,-19.32,;-6.07,-20.09,;-6.06,-21.63,;-7.4,-22.4,;-8.73,-21.63,;-7.4,-23.94,;-6.06,-24.71,;-4.72,-23.92,;-4.73,-22.39,;-3.4,-21.61,;-.73,-20.09,;-.74,-21.63,;.59,-22.4,;1.93,-21.64,;1.93,-20.1,;.6,-19.32,;-3.4,-15.46,;-2.07,-14.69,;-2.06,-13.15,;-3.4,-12.38,;-4.74,-13.16,;-4.73,-14.7,;-6.06,-15.47,)| Show InChI InChI=1S/C25H20ClF2N3O/c26-19-5-2-1-4-16(19)18-14-22(15-8-11-29-12-9-15)30-24-17(18)10-13-31(32)25(24)23-20(27)6-3-7-21(23)28/h1-7,10,13-15,29H,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 Similars	Article PubMed	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha MAP kinase after 1 hr by FRET analysis				J Med Chem 54: 7899-910 (2011) Article DOI: 10.1021/jm200975u BindingDB Entry DOI: 10.7270/Q2MW2HKR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50357911 (CHEMBL1916525) Show SMILES [O-][n+]1ccc2c(cc(NC3CCNCC3)nc2c1-c1c(F)cccc1F)-c1ccc(F)cc1F |(23.08,-19.61,;24.41,-18.84,;24.41,-17.3,;25.74,-16.53,;27.08,-17.29,;28.41,-16.51,;29.75,-17.29,;29.75,-18.84,;31.08,-19.62,;32.42,-18.85,;33.75,-19.63,;35.08,-18.87,;35.09,-17.33,;33.76,-16.55,;32.41,-17.31,;28.41,-19.61,;27.08,-18.84,;25.75,-19.61,;25.75,-21.15,;27.08,-21.91,;28.41,-21.13,;27.09,-23.45,;25.76,-24.23,;24.42,-23.46,;24.42,-21.92,;23.08,-21.15,;28.41,-14.98,;29.75,-14.21,;29.75,-12.67,;28.42,-11.9,;28.41,-10.36,;27.08,-12.68,;27.08,-14.22,;25.75,-14.99,)| Show InChI InChI=1S/C25H20F4N4O/c26-14-4-5-16(21(29)12-14)18-13-22(31-15-6-9-30-10-7-15)32-24-17(18)8-11-33(34)25(24)23-19(27)2-1-3-20(23)28/h1-5,8,11-13,15,30H,6-7,9-10H2,(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha MAP kinase after 1 hr by FRET analysis				J Med Chem 54: 7899-910 (2011) Article DOI: 10.1021/jm200975u BindingDB Entry DOI: 10.7270/Q2MW2HKR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50356002 (CHEMBL1911337) Show SMILES Cc1ccc2c(NC3CC3)noc2c1-c1ccc2c(NC(=O)C2(C)C)c1 Show InChI InChI=1S/C21H21N3O2/c1-11-4-8-14-18(26-24-19(14)22-13-6-7-13)17(11)12-5-9-15-16(10-12)23-20(25)21(15,2)3/h4-5,8-10,13H,6-7H2,1-3H3,(H,22,24)(H,23,25)	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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay				Bioorg Med Chem Lett 21: 6253-7 (2011) Article DOI: 10.1016/j.bmcl.2011.09.006 BindingDB Entry DOI: 10.7270/Q25B02W3
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50357916 (CHEMBL1916530) Show SMILES [O-][n+]1ccc2c(cc(OC3CCNCC3)nc2c1-c1c(Cl)cccc1Cl)-c1ccccc1Cl |(8.24,-4.99,;9.58,-4.22,;9.58,-2.68,;10.91,-1.9,;12.24,-2.67,;13.58,-1.89,;14.92,-2.67,;14.91,-4.22,;16.25,-4.99,;17.58,-4.23,;18.91,-5.01,;20.25,-4.25,;20.26,-2.71,;18.93,-1.93,;17.58,-2.69,;13.57,-4.99,;12.24,-4.22,;10.91,-4.99,;10.92,-6.52,;9.58,-7.3,;8.25,-6.53,;9.58,-8.83,;10.92,-9.6,;12.26,-8.82,;12.25,-7.29,;13.58,-6.51,;13.58,-.36,;14.91,.41,;14.92,1.95,;13.58,2.72,;12.24,1.94,;12.25,.4,;10.92,-.37,)| Show InChI InChI=1S/C25H20Cl3N3O2/c26-19-5-2-1-4-16(19)18-14-22(33-15-8-11-29-12-9-15)30-24-17(18)10-13-31(32)25(24)23-20(27)6-3-7-21(23)28/h1-7,10,13-15,29H,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 Similars	Article PubMed	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha MAP kinase after 1 hr by FRET analysis				J Med Chem 54: 7899-910 (2011) Article DOI: 10.1021/jm200975u BindingDB Entry DOI: 10.7270/Q2MW2HKR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50357903 (CHEMBL1916360) Show SMILES [O-][n+]1ccc2c(cc(nc2c1-c1c(Cl)cccc1Cl)C1CCNCC1)-c1ccc(F)cc1Cl |(-9.19,-39.37,;-7.86,-38.61,;-7.86,-37.06,;-6.53,-36.29,;-5.19,-37.05,;-3.86,-36.28,;-2.52,-37.06,;-2.52,-38.6,;-3.87,-39.37,;-5.2,-38.6,;-6.53,-39.38,;-6.52,-40.91,;-7.86,-41.68,;-9.19,-40.91,;-7.85,-43.22,;-6.52,-43.99,;-5.18,-43.21,;-5.19,-41.67,;-3.86,-40.89,;-1.19,-39.37,;-1.2,-40.91,;.13,-41.69,;1.47,-40.93,;1.47,-39.38,;.14,-38.6,;-3.86,-34.75,;-2.52,-33.98,;-2.52,-32.44,;-3.86,-31.67,;-3.86,-30.13,;-5.2,-32.45,;-5.19,-33.98,;-6.52,-34.76,)| Show InChI InChI=1S/C25H19Cl3FN3O/c26-19-2-1-3-20(27)23(19)25-24-17(8-11-32(25)33)18(16-5-4-15(29)12-21(16)28)13-22(31-24)14-6-9-30-10-7-14/h1-5,8,11-14,30H,6-7,9-10H2	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	0.490	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha MAP kinase after 1 hr by FRET analysis				J Med Chem 54: 7899-910 (2011) Article DOI: 10.1021/jm200975u BindingDB Entry DOI: 10.7270/Q2MW2HKR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50357915 (CHEMBL1916529) Show SMILES CN1C(C)(C)CC(CC1(C)C)Nc1cc(-c2ccccc2Cl)c2cc[n+]([O-])c(-c3c(Cl)cccc3Cl)c2n1 |(4.35,-2.11,;3.01,-2.87,;2.99,-4.41,;4.53,-4.41,;3.76,-5.74,;1.66,-5.17,;.33,-4.39,;.33,-2.86,;1.67,-2.09,;.89,-.75,;2.44,-.75,;-1.01,-5.16,;-2.34,-4.38,;-2.34,-2.84,;-3.67,-2.06,;-3.67,-.52,;-2.34,.24,;-2.34,1.78,;-3.67,2.55,;-5.01,1.78,;-5,.24,;-6.33,-.53,;-5.01,-2.83,;-6.34,-2.07,;-7.67,-2.84,;-7.67,-4.38,;-9.01,-5.15,;-6.34,-5.15,;-6.33,-6.69,;-7.67,-7.46,;-9,-6.69,;-7.67,-9,;-6.33,-9.77,;-4.99,-8.98,;-5,-7.45,;-3.67,-6.67,;-5.01,-4.38,;-3.68,-5.15,)| Show InChI InChI=1S/C30H31Cl3N4O/c1-29(2)16-18(17-30(3,4)36(29)5)34-25-15-21(19-9-6-7-10-22(19)31)20-13-14-37(38)28(27(20)35-25)26-23(32)11-8-12-24(26)33/h6-15,18H,16-17H2,1-5H3,(H,34,35)	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha MAP kinase after 1 hr by FRET analysis				J Med Chem 54: 7899-910 (2011) Article DOI: 10.1021/jm200975u BindingDB Entry DOI: 10.7270/Q2MW2HKR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50357906 (CHEMBL1916520) Show SMILES CC(C)(C)N1CCC(CC1)c1cc(-c2ccc(F)cc2Cl)c2cc[n+]([O-])c(-c3c(Cl)cccc3Cl)c2n1 |(2.33,-7.59,;2.34,-6.04,;3.68,-5.28,;3.67,-6.81,;1.02,-5.27,;-.33,-6.03,;-1.65,-5.25,;-1.64,-3.71,;-.31,-2.94,;1.02,-3.72,;-2.98,-2.94,;-2.97,-1.4,;-4.31,-.62,;-4.31,.91,;-2.98,1.68,;-2.97,3.22,;-4.31,3.99,;-4.31,5.53,;-5.65,3.22,;-5.64,1.68,;-6.97,.91,;-5.65,-1.39,;-6.98,-.63,;-8.31,-1.4,;-8.31,-2.94,;-9.65,-3.71,;-6.98,-3.72,;-6.97,-5.25,;-8.31,-6.02,;-9.64,-5.25,;-8.31,-7.56,;-6.97,-8.33,;-5.63,-7.55,;-5.64,-6.01,;-4.31,-5.23,;-5.65,-2.94,;-4.32,-3.71,)| Show InChI InChI=1S/C29H27Cl3FN3O/c1-29(2,3)35-12-9-17(10-13-35)25-16-21(19-8-7-18(33)15-24(19)32)20-11-14-36(37)28(27(20)34-25)26-22(30)5-4-6-23(26)31/h4-8,11,14-17H,9-10,12-13H2,1-3H3	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	0.530	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha MAP kinase after 1 hr by FRET analysis				J Med Chem 54: 7899-910 (2011) Article DOI: 10.1021/jm200975u BindingDB Entry DOI: 10.7270/Q2MW2HKR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50357905 (CHEMBL1916519) Show SMILES CC(C)N1CCC(CC1)c1cc(-c2ccc(F)cc2Cl)c2cc[n+]([O-])c(-c3c(Cl)cccc3Cl)c2n1 |(32.53,-43.15,;32.54,-41.61,;33.88,-40.85,;31.21,-40.83,;29.87,-41.59,;28.54,-40.82,;28.55,-39.28,;29.88,-38.51,;31.22,-39.29,;27.23,-38.51,;27.23,-36.96,;25.89,-36.19,;25.89,-34.65,;27.23,-33.88,;27.23,-32.35,;25.89,-31.57,;25.89,-30.03,;24.55,-32.35,;24.56,-33.89,;23.23,-34.66,;24.56,-36.96,;23.22,-36.2,;21.89,-36.97,;21.89,-38.51,;20.56,-39.28,;23.22,-39.28,;23.23,-40.82,;21.89,-41.59,;20.56,-40.82,;21.9,-43.13,;23.23,-43.89,;24.57,-43.11,;24.56,-41.58,;25.89,-40.8,;24.55,-38.51,;25.88,-39.28,)| Show InChI InChI=1S/C28H25Cl3FN3O/c1-16(2)34-11-8-17(9-12-34)25-15-21(19-7-6-18(32)14-24(19)31)20-10-13-35(36)28(27(20)33-25)26-22(29)4-3-5-23(26)30/h3-7,10,13-17H,8-9,11-12H2,1-2H3	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	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha MAP kinase after 1 hr by FRET analysis				J Med Chem 54: 7899-910 (2011) Article DOI: 10.1021/jm200975u BindingDB Entry DOI: 10.7270/Q2MW2HKR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 13 (Homo sapiens (Human))	BDBM50420761 (CHEMBL2087507) Show SMILES Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)C1(C)CC1)C(=O)NC1CC1 Show InChI InChI=1S/C21H21FN4O/c1-12-16(9-14(10-17(12)22)19(27)23-15-3-4-15)13-5-8-26-18(11-13)24-25-20(26)21(2)6-7-21/h5,8-11,15H,3-4,6-7H2,1-2H3,(H,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.640	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 22: 3431-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.099 BindingDB Entry DOI: 10.7270/Q2348MNX
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50357904 (CHEMBL1916361) Show SMILES CN1CCC(CC1)c1cc(-c2ccc(F)cc2Cl)c2cc[n+]([O-])c(-c3c(Cl)cccc3Cl)c2n1 |(17.77,-41.9,;16.45,-41.12,;15.11,-41.88,;13.78,-41.11,;13.79,-39.56,;15.12,-38.8,;16.45,-39.58,;12.46,-38.8,;12.47,-37.25,;11.13,-36.47,;11.13,-34.94,;12.46,-34.17,;12.47,-32.63,;11.13,-31.86,;11.13,-30.32,;9.79,-32.64,;9.8,-34.18,;8.47,-34.95,;9.79,-37.25,;8.46,-36.48,;7.13,-37.26,;7.13,-38.8,;5.79,-39.57,;8.46,-39.57,;8.47,-41.1,;7.13,-41.88,;5.8,-41.11,;7.13,-43.41,;8.47,-44.18,;9.81,-43.4,;9.8,-41.87,;11.13,-41.09,;9.79,-38.8,;11.12,-39.57,)| Show InChI InChI=1S/C26H21Cl3FN3O/c1-32-10-7-15(8-11-32)23-14-19(17-6-5-16(30)13-22(17)29)18-9-12-33(34)26(25(18)31-23)24-20(27)3-2-4-21(24)28/h2-6,9,12-15H,7-8,10-11H2,1H3	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	0.720	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha MAP kinase after 1 hr by FRET analysis				J Med Chem 54: 7899-910 (2011) Article DOI: 10.1021/jm200975u BindingDB Entry DOI: 10.7270/Q2MW2HKR
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM15242 (1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(4...) Show SMILES Fc1ccc(c(F)c1)-c1cc(cc2N(C(=O)CCc12)c1c(Cl)cccc1Cl)C1CCNCC1 Show InChI InChI=1S/C26H22Cl2F2N2O/c27-21-2-1-3-22(28)26(21)32-24-13-16(15-8-10-31-11-9-15)12-20(19(24)6-7-25(32)33)18-5-4-17(29)14-23(18)30/h1-5,12-15,31H,6-11H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	0.740	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of p38alpha MAP kinase				J Med Chem 54: 7899-910 (2011) Article DOI: 10.1021/jm200975u BindingDB Entry DOI: 10.7270/Q2MW2HKR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50352572 (CHEMBL1825157 | US8772288, 51) Show SMILES Cc1ccc(cc1-c1cc2NC(=O)C3(CCCC3)c2cn1)C(=O)NC1CC1 Show InChI InChI=1S/C22H23N3O2/c1-13-4-5-14(20(26)24-15-6-7-15)10-16(13)18-11-19-17(12-23-18)22(21(27)25-19)8-2-3-9-22/h4-5,10-12,15H,2-3,6-9H2,1H3,(H,24,26)(H,25,27)	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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha using biotinylated ATF2 substrate by FRET assay				Bioorg Med Chem Lett 21: 5270-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.033 BindingDB Entry DOI: 10.7270/Q2KD1Z8K
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50357902 (CHEMBL1738839) Show SMILES [O-][n+]1ccc2c(cc(nc2c1-c1c(Cl)cccc1Cl)C1CCNCC1)-c1ccc(F)cc1F |(3.73,1.38,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.33,3.08,;-0,3.85,;-1.07,3.23,;-.01,5.39,;1.33,6.16,;2.66,5.39,;2.66,3.85,;3.73,3.24,;-4.01,1.54,;-5.35,.78,;-6.68,1.56,;-6.67,3.1,;-5.33,3.86,;-4,3.08,;-1.33,-3.08,;.01,-3.84,;.01,-5.38,;-1.32,-6.16,;-1.32,-7.39,;-2.65,-5.39,;-2.66,-3.85,;-3.73,-3.24,)| Show InChI InChI=1S/C25H19Cl2F2N3O/c26-19-2-1-3-20(27)23(19)25-24-17(8-11-32(25)33)18(16-5-4-15(28)12-21(16)29)13-22(31-24)14-6-9-30-10-7-14/h1-5,8,11-14,30H,6-7,9-10H2	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	0.820	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha MAP kinase after 1 hr by FRET analysis				J Med Chem 54: 7899-910 (2011) Article DOI: 10.1021/jm200975u BindingDB Entry DOI: 10.7270/Q2MW2HKR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 13 (Homo sapiens (Human))	BDBM50420769 (CHEMBL2087515) Show SMILES Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)-c1ccncc1Cl)C(=O)NC1CC1 Show InChI InChI=1S/C22H17ClFN5O/c1-12-17(8-14(9-19(12)24)22(30)26-15-2-3-15)13-5-7-29-20(10-13)27-28-21(29)16-4-6-25-11-18(16)23/h4-11,15H,2-3H2,1H3,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.830	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 22: 3431-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.099 BindingDB Entry DOI: 10.7270/Q2348MNX
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50352570 (CHEMBL1825154) Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCC(F)(F)CC2)c1)C(=O)Nc1ccon1 Show InChI InChI=1S/C24H21F2N3O3/c1-14-2-3-16(21(30)28-20-6-11-32-29-20)12-17(14)15-4-5-18-19(13-15)27-22(31)23(18)7-9-24(25,26)10-8-23/h2-6,11-13H,7-10H2,1H3,(H,27,31)(H,28,29,30)	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	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha using biotinylated ATF2 substrate by FRET assay				Bioorg Med Chem Lett 21: 5270-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.033 BindingDB Entry DOI: 10.7270/Q2KD1Z8K
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50348323 (CHEMBL1800912) Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCCCC2)c1)C(=O)NC1CC1 Show InChI InChI=1S/C24H26N2O2/c1-15-5-6-17(22(27)25-18-8-9-18)13-19(15)16-7-10-20-21(14-16)26-23(28)24(20)11-3-2-4-12-24/h5-7,10,13-14,18H,2-4,8-9,11-12H2,1H3,(H,25,27)(H,26,28)	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	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha by FRET assay				Bioorg Med Chem Lett 21: 4130-3 (2011) Article DOI: 10.1016/j.bmcl.2011.05.114 BindingDB Entry DOI: 10.7270/Q2NP25DM
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50355999 (CHEMBL1911334) Show SMILES Cc1ccc2c(NC3CC3)noc2c1-c1ccc2c(NC(=O)C22CCCC2)c1 Show InChI InChI=1S/C23H23N3O2/c1-13-4-8-16-20(28-26-21(16)24-15-6-7-15)19(13)14-5-9-17-18(12-14)25-22(27)23(17)10-2-3-11-23/h4-5,8-9,12,15H,2-3,6-7,10-11H2,1H3,(H,24,26)(H,25,27)	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	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay				Bioorg Med Chem Lett 21: 6253-7 (2011) Article DOI: 10.1016/j.bmcl.2011.09.006 BindingDB Entry DOI: 10.7270/Q25B02W3
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50352569 (CHEMBL1825146 | US8772288, 31) Show SMILES Cc1c(F)cc(cc1-c1ccc2c(NC(=O)C22CCN(CC2)S(C)(=O)=O)c1)C(=O)NC1CC1 Show InChI InChI=1S/C24H26FN3O4S/c1-14-18(11-16(12-20(14)25)22(29)26-17-4-5-17)15-3-6-19-21(13-15)27-23(30)24(19)7-9-28(10-8-24)33(2,31)32/h3,6,11-13,17H,4-5,7-10H2,1-2H3,(H,26,29)(H,27,30)	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	1	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha using biotinylated ATF2 substrate by FRET assay				Bioorg Med Chem Lett 21: 5270-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.033 BindingDB Entry DOI: 10.7270/Q2KD1Z8K
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50356007 (CHEMBL1911342) Show SMILES Cc1ccc2c(N)noc2c1-c1ccc2c(NC(=O)C22CCC(F)(F)CC2)c1 Show InChI InChI=1S/C21H19F2N3O2/c1-11-2-4-13-17(28-26-18(13)24)16(11)12-3-5-14-15(10-12)25-19(27)20(14)6-8-21(22,23)9-7-20/h2-5,10H,6-9H2,1H3,(H2,24,26)(H,25,27)	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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay				Bioorg Med Chem Lett 21: 6253-7 (2011) Article DOI: 10.1016/j.bmcl.2011.09.006 BindingDB Entry DOI: 10.7270/Q25B02W3
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50348319 (CHEMBL1800916 | US8772288, 15) Show SMILES Cc1c(F)cc(cc1-c1ccc2c(NC(=O)C22CCCC2)c1)C(=O)NC1CC1 Show InChI InChI=1S/C23H23FN2O2/c1-13-17(10-15(11-19(13)24)21(27)25-16-5-6-16)14-4-7-18-20(12-14)26-22(28)23(18)8-2-3-9-23/h4,7,10-12,16H,2-3,5-6,8-9H2,1H3,(H,25,27)(H,26,28)	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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha by FRET assay				Bioorg Med Chem Lett 21: 4130-3 (2011) Article DOI: 10.1016/j.bmcl.2011.05.114 BindingDB Entry DOI: 10.7270/Q2NP25DM
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50348324 (CHEMBL1800910 | US8772288, 3) Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCC2)c1)C(=O)NC1CC1 Show InChI InChI=1S/C22H22N2O2/c1-13-3-4-15(20(25)23-16-6-7-16)11-17(13)14-5-8-18-19(12-14)24-21(26)22(18)9-2-10-22/h3-5,8,11-12,16H,2,6-7,9-10H2,1H3,(H,23,25)(H,24,26)	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	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha by FRET assay				Bioorg Med Chem Lett 21: 4130-3 (2011) Article DOI: 10.1016/j.bmcl.2011.05.114 BindingDB Entry DOI: 10.7270/Q2NP25DM
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50352571 (CHEMBL1825152) Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)[C@]22CC[C@H](O)CC2)c1)C(=O)NC1CC1 |r,wU:18.20,wD:15.15,(14.49,-15.14,;15.83,-15.9,;17.16,-15.12,;18.5,-15.89,;18.51,-17.43,;17.18,-18.2,;15.84,-17.44,;14.51,-18.21,;14.52,-19.76,;13.18,-20.53,;11.85,-19.76,;11.85,-18.22,;10.39,-17.74,;9.48,-18.99,;7.94,-18.98,;10.38,-20.23,;8.89,-20.63,;8.49,-22.11,;9.58,-23.21,;9.17,-24.69,;11.07,-22.81,;11.48,-21.32,;13.18,-17.44,;19.84,-18.2,;19.85,-19.74,;21.17,-17.42,;22.51,-18.19,;23.29,-19.52,;24.05,-18.18,)| Show InChI InChI=1S/C24H26N2O3/c1-14-2-3-16(22(28)25-17-5-6-17)12-19(14)15-4-7-20-21(13-15)26-23(29)24(20)10-8-18(27)9-11-24/h2-4,7,12-13,17-18,27H,5-6,8-11H2,1H3,(H,25,28)(H,26,29)/t18-,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	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha using biotinylated ATF2 substrate by FRET assay				Bioorg Med Chem Lett 21: 5270-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.033 BindingDB Entry DOI: 10.7270/Q2KD1Z8K
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50352568 (CHEMBL1825151) Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)[C@@]22CC[C@H](O)CC2)c1)C(=O)NC1CC1 |r,wD:15.15,18.20,(-4.28,-16.05,;-2.94,-16.81,;-1.62,-16.03,;-.27,-16.8,;-.27,-18.34,;-1.6,-19.11,;-2.94,-18.35,;-4.26,-19.12,;-4.26,-20.67,;-5.59,-21.44,;-6.93,-20.67,;-6.92,-19.13,;-8.39,-18.65,;-9.29,-19.9,;-10.83,-19.89,;-8.39,-21.14,;-7.3,-22.23,;-7.71,-23.72,;-9.2,-24.12,;-9.6,-25.6,;-10.29,-23.02,;-9.89,-21.54,;-5.6,-18.35,;1.07,-19.11,;1.07,-20.65,;2.4,-18.33,;3.73,-19.1,;4.51,-20.43,;5.28,-19.09,)| Show InChI InChI=1S/C24H26N2O3/c1-14-2-3-16(22(28)25-17-5-6-17)12-19(14)15-4-7-20-21(13-15)26-23(29)24(20)10-8-18(27)9-11-24/h2-4,7,12-13,17-18,27H,5-6,8-11H2,1H3,(H,25,28)(H,26,29)/t18-,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	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha using biotinylated ATF2 substrate by FRET assay				Bioorg Med Chem Lett 21: 5270-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.033 BindingDB Entry DOI: 10.7270/Q2KD1Z8K
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 13 (Homo sapiens (Human))	BDBM50420767 (CHEMBL2087513) Show SMILES Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)-c1ccccc1Cl)C(=O)NC1CC1 Show InChI InChI=1S/C23H18ClFN4O/c1-13-18(10-15(11-20(13)25)23(30)26-16-6-7-16)14-8-9-29-21(12-14)27-28-22(29)17-4-2-3-5-19(17)24/h2-5,8-12,16H,6-7H2,1H3,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 22: 3431-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.099 BindingDB Entry DOI: 10.7270/Q2348MNX
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50352567 (CHEMBL1825147 | US8772288, 22) Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCOCC2)c1)C(=O)NC1CC1 Show InChI InChI=1S/C23H24N2O3/c1-14-2-3-16(21(26)24-17-5-6-17)12-18(14)15-4-7-19-20(13-15)25-22(27)23(19)8-10-28-11-9-23/h2-4,7,12-13,17H,5-6,8-11H2,1H3,(H,24,26)(H,25,27)	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	1.65	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha using biotinylated ATF2 substrate by FRET assay				Bioorg Med Chem Lett 21: 5270-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.033 BindingDB Entry DOI: 10.7270/Q2KD1Z8K
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 13 (Homo sapiens (Human))	BDBM50420746 (CHEMBL2087524) Show SMILES CN(C)C(C)(C)c1nnc2cc(ccn12)-c1cc(cc(F)c1C)C(=O)NC1CC1 Show InChI InChI=1S/C22H26FN5O/c1-13-17(10-15(11-18(13)23)20(29)24-16-6-7-16)14-8-9-28-19(12-14)25-26-21(28)22(2,3)27(4)5/h8-12,16H,6-7H2,1-5H3,(H,24,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 22: 3431-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.099 BindingDB Entry DOI: 10.7270/Q2348MNX
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50352574 (CHEMBL1825153 | US8772288, 32) Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCC(F)(F)CC2)c1)C(=O)NC1CC1 Show InChI InChI=1S/C24H24F2N2O2/c1-14-2-3-16(21(29)27-17-5-6-17)12-18(14)15-4-7-19-20(13-15)28-22(30)23(19)8-10-24(25,26)11-9-23/h2-4,7,12-13,17H,5-6,8-11H2,1H3,(H,27,29)(H,28,30)	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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha using biotinylated ATF2 substrate by FRET assay				Bioorg Med Chem Lett 21: 5270-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.033 BindingDB Entry DOI: 10.7270/Q2KD1Z8K
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50352573 (CHEMBL1825158) Show SMILES Cc1ccc(cc1-c1cnc2c(NC(=O)C22CCCC2)c1)C(=O)NC1CC1 Show InChI InChI=1S/C22H23N3O2/c1-13-4-5-14(20(26)24-16-6-7-16)10-17(13)15-11-18-19(23-12-15)22(21(27)25-18)8-2-3-9-22/h4-5,10-12,16H,2-3,6-9H2,1H3,(H,24,26)(H,25,27)	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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha using biotinylated ATF2 substrate by FRET assay				Bioorg Med Chem Lett 21: 5270-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.033 BindingDB Entry DOI: 10.7270/Q2KD1Z8K
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 13 (Homo sapiens (Human))	BDBM50420763 (CHEMBL2087509) Show SMILES Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)C1CCC1)C(=O)NC1CC1 Show InChI InChI=1S/C21H21FN4O/c1-12-17(9-15(10-18(12)22)21(27)23-16-5-6-16)14-7-8-26-19(11-14)24-25-20(26)13-3-2-4-13/h7-11,13,16H,2-6H2,1H3,(H,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 22: 3431-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.099 BindingDB Entry DOI: 10.7270/Q2348MNX
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50355997 (CHEMBL1911332 | US8772288, 63) Show SMILES Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCC(F)(F)CC2)c1 Show InChI InChI=1S/C23H22F2N4O/c1-13-3-4-16(20-26-14(2)28-29-20)11-17(13)15-5-6-18-19(12-15)27-21(30)22(18)7-9-23(24,25)10-8-22/h3-6,11-12H,7-10H2,1-2H3,(H,27,30)(H,26,28,29)	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay				Bioorg Med Chem Lett 21: 6253-7 (2011) Article DOI: 10.1016/j.bmcl.2011.09.006 BindingDB Entry DOI: 10.7270/Q25B02W3
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50348322 (CHEMBL1800913) Show SMILES Clc1ccc(cc1-c1ccc2c(NC(=O)C22CCCC2)c1)C(=O)NC1CC1 Show InChI InChI=1S/C22H21ClN2O2/c23-18-8-4-14(20(26)24-15-5-6-15)11-16(18)13-3-7-17-19(12-13)25-21(27)22(17)9-1-2-10-22/h3-4,7-8,11-12,15H,1-2,5-6,9-10H2,(H,24,26)(H,25,27)	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha by FRET assay				Bioorg Med Chem Lett 21: 4130-3 (2011) Article DOI: 10.1016/j.bmcl.2011.05.114 BindingDB Entry DOI: 10.7270/Q2NP25DM
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 13 (Homo sapiens (Human))	BDBM50420756 (CHEMBL2087501) Show SMILES Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)C(C)(C)C)C(=O)NC1CC1 Show InChI InChI=1S/C21H23FN4O/c1-12-16(9-14(10-17(12)22)19(27)23-15-5-6-15)13-7-8-26-18(11-13)24-25-20(26)21(2,3)4/h7-11,15H,5-6H2,1-4H3,(H,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 22: 3431-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.099 BindingDB Entry DOI: 10.7270/Q2348MNX
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50352575 (CHEMBL1825160) Show SMILES Cc1ccc(cc1-c1cnc2c(NC(=O)C22CCC(F)(F)CC2)c1)C(=O)NC1CC1 Show InChI InChI=1S/C23H23F2N3O2/c1-13-2-3-14(20(29)27-16-4-5-16)10-17(13)15-11-18-19(26-12-15)22(21(30)28-18)6-8-23(24,25)9-7-22/h2-3,10-12,16H,4-9H2,1H3,(H,27,29)(H,28,30)	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	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha using biotinylated ATF2 substrate by FRET assay				Bioorg Med Chem Lett 21: 5270-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.033 BindingDB Entry DOI: 10.7270/Q2KD1Z8K
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50348326 (CHEMBL1800921) Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCCC2)c1)C(=O)NCC1CC1 Show InChI InChI=1S/C24H26N2O2/c1-15-4-7-18(22(27)25-14-16-5-6-16)12-19(15)17-8-9-20-21(13-17)26-23(28)24(20)10-2-3-11-24/h4,7-9,12-13,16H,2-3,5-6,10-11,14H2,1H3,(H,25,27)(H,26,28)	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha by FRET assay				Bioorg Med Chem Lett 21: 4130-3 (2011) Article DOI: 10.1016/j.bmcl.2011.05.114 BindingDB Entry DOI: 10.7270/Q2NP25DM
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 13 (Homo sapiens (Human))	BDBM50420758 (CHEMBL2087503) Show SMILES CC(C)c1nnc2cc(ccn12)-c1cc(cc(F)c1C)C(=O)NC1CC1 Show InChI InChI=1S/C20H21FN4O/c1-11(2)19-24-23-18-10-13(6-7-25(18)19)16-8-14(9-17(21)12(16)3)20(26)22-15-4-5-15/h6-11,15H,4-5H2,1-3H3,(H,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 22: 3431-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.099 BindingDB Entry DOI: 10.7270/Q2348MNX
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 13 (Homo sapiens (Human))	BDBM50420747 (CHEMBL2087526) Show SMILES Cc1c(F)cc(cc1-c1ccn2c(nnc2c1)C(C)(C)O)C(=O)NC1CC1 Show InChI InChI=1S/C20H21FN4O2/c1-11-15(8-13(9-16(11)21)18(26)22-14-4-5-14)12-6-7-25-17(10-12)23-24-19(25)20(2,3)27/h6-10,14,27H,4-5H2,1-3H3,(H,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of p38alpha				Bioorg Med Chem Lett 22: 3431-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.099 BindingDB Entry DOI: 10.7270/Q2348MNX
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50356001 (CHEMBL1911336) Show SMILES Clc1cc2c(NC(=O)C22CCCC2)cc1-c1cccc2c(NC3CC3)noc12 Show InChI InChI=1S/C22H20ClN3O2/c23-17-11-16-18(25-21(27)22(16)8-1-2-9-22)10-15(17)13-4-3-5-14-19(13)28-26-20(14)24-12-6-7-12/h3-5,10-12H,1-2,6-9H2,(H,24,26)(H,25,27)	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	4	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay				Bioorg Med Chem Lett 21: 6253-7 (2011) Article DOI: 10.1016/j.bmcl.2011.09.006 BindingDB Entry DOI: 10.7270/Q25B02W3
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50355998 (CHEMBL1911333 | US8772288, 67) Show SMILES Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCN(CC2)S(C)(=O)=O)c1 Show InChI InChI=1S/C23H25N5O3S/c1-14-4-5-17(21-24-15(2)26-27-21)12-18(14)16-6-7-19-20(13-16)25-22(29)23(19)8-10-28(11-9-23)32(3,30)31/h4-7,12-13H,8-11H2,1-3H3,(H,25,29)(H,24,26,27)	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	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay				Bioorg Med Chem Lett 21: 6253-7 (2011) Article DOI: 10.1016/j.bmcl.2011.09.006 BindingDB Entry DOI: 10.7270/Q25B02W3
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50352570 (CHEMBL1825154) Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCC(F)(F)CC2)c1)C(=O)Nc1ccon1 Show InChI InChI=1S/C24H21F2N3O3/c1-14-2-3-16(21(30)28-20-6-11-32-29-20)12-17(14)15-4-5-18-19(13-15)27-22(31)23(18)7-9-24(25,26)10-8-23/h2-6,11-13H,7-10H2,1H3,(H,27,31)(H,28,29,30)	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	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of p38alpha in human whole blood assessed as reduction in TNF-alpha production by ELISA				Bioorg Med Chem Lett 21: 5270-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.033 BindingDB Entry DOI: 10.7270/Q2KD1Z8K
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50356006 (CHEMBL1911341) Show SMILES Cc1ccc2c(N)noc2c1-c1ccc2c(NC(=O)C22CCOCC2)c1 Show InChI InChI=1S/C20H19N3O3/c1-11-2-4-13-17(26-23-18(13)21)16(11)12-3-5-14-15(10-12)22-19(24)20(14)6-8-25-9-7-20/h2-5,10H,6-9H2,1H3,(H2,21,23)(H,22,24)	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	5	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha using biotinylated ATF2 as substrate preincubated for 1 hr measured after 1 hr by FRET assay				Bioorg Med Chem Lett 21: 6253-7 (2011) Article DOI: 10.1016/j.bmcl.2011.09.006 BindingDB Entry DOI: 10.7270/Q25B02W3
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50348325 (CHEMBL1800909) Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C2(C)C)c1)C(=O)NC1CC1 Show InChI InChI=1S/C21H22N2O2/c1-12-4-5-14(19(24)22-15-7-8-15)10-16(12)13-6-9-17-18(11-13)23-20(25)21(17,2)3/h4-6,9-11,15H,7-8H2,1-3H3,(H,22,24)(H,23,25)	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	5	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of human p38alpha by FRET assay				Bioorg Med Chem Lett 21: 4130-3 (2011) Article DOI: 10.1016/j.bmcl.2011.05.114 BindingDB Entry DOI: 10.7270/Q2NP25DM
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50352568 (CHEMBL1825151) Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)[C@@]22CC[C@H](O)CC2)c1)C(=O)NC1CC1 |r,wD:15.15,18.20,(-4.28,-16.05,;-2.94,-16.81,;-1.62,-16.03,;-.27,-16.8,;-.27,-18.34,;-1.6,-19.11,;-2.94,-18.35,;-4.26,-19.12,;-4.26,-20.67,;-5.59,-21.44,;-6.93,-20.67,;-6.92,-19.13,;-8.39,-18.65,;-9.29,-19.9,;-10.83,-19.89,;-8.39,-21.14,;-7.3,-22.23,;-7.71,-23.72,;-9.2,-24.12,;-9.6,-25.6,;-10.29,-23.02,;-9.89,-21.54,;-5.6,-18.35,;1.07,-19.11,;1.07,-20.65,;2.4,-18.33,;3.73,-19.1,;4.51,-20.43,;5.28,-19.09,)| Show InChI InChI=1S/C24H26N2O3/c1-14-2-3-16(22(28)25-17-5-6-17)12-19(14)15-4-7-20-21(13-15)26-23(29)24(20)10-8-18(27)9-11-24/h2-4,7,12-13,17-18,27H,5-6,8-11H2,1H3,(H,25,28)(H,26,29)/t18-,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	5	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Inhibition of p38alpha in human whole blood assessed as reduction in TNF-alpha production by ELISA				Bioorg Med Chem Lett 21: 5270-3 (2011) Article DOI: 10.1016/j.bmcl.2011.07.033 BindingDB Entry DOI: 10.7270/Q2KD1Z8K
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM31629 (Aminopyridine N-oxide, 55) Show SMILES COc1cc(F)c(c(F)c1)-c1c(N)c(cc[n+]1[O-])C(=O)c1ccc(F)cc1F |(5.09,2.69,;3.75,1.92,;2.42,2.69,;1.08,1.92,;-.25,2.69,;-1.58,1.92,;-.25,4.23,;1.08,5.01,;1.08,6.55,;2.42,4.23,;-1.58,5,;-1.58,6.55,;-.25,7.32,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-5.59,8.87,;-6.92,9.66,;-6.9,11.2,;-8.22,11.99,;-5.55,11.95,;-4.23,11.16,;-2.89,11.92,)| Show InChI InChI=1S/C19H12F4N2O3/c1-28-10-7-14(22)16(15(23)8-10)18-17(24)12(4-5-25(18)27)19(26)11-3-2-9(20)6-13(11)21/h2-8H,24H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	25
Almirall Research Center					Assay Description Enzymatic activity assay was performed in 96-well microtiter plates. Various concentrations of the test compound or vehicle controls were preincubate...				J Med Chem 52: 5531-45 (2009) Article DOI: 10.1021/jm9008604 BindingDB Entry DOI: 10.7270/Q25719B5
					More data for this Ligand-Target Pair

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