Compile Data Set for Download or QSAR

Found 309 hits with Last Name = 'nakamura' and Initial = 'd'   

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
Cathepsin D (Homo sapiens (Human))	BDBM50438363 (CHEMBL2408751) Show SMILES CCC[C@@]1(C)C[C@H](NC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)c2cc(CC(C)(C)C)ccc2O1 |r| Show InChI InChI=1S/C30H42F2N2O3/c1-7-10-30(6)17-26(24-13-20(16-29(3,4)5)8-9-28(24)37-30)33-18-27(36)25(34-19(2)35)14-21-11-22(31)15-23(32)12-21/h8-9,11-13,15,25-27,33,36H,7,10,14,16-18H2,1-6H3,(H,34,35)/t25-,26-,27+,30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...				Bioorg Med Chem Lett 23: 4674-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.006 BindingDB Entry DOI: 10.7270/Q29W0GWT
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM16016 (CHEMBL437747 | N-cyclohexyl-4-[4-(3,4-dichlorophen...) Show SMILES CCCn1c(nc(c1-c1ccnc(NC2CCCCC2)n1)-c1ccc(Cl)c(Cl)c1)C1CCNCC1 Show InChI InChI=1S/C27H34Cl2N6/c1-2-16-35-25(23-12-15-31-27(33-23)32-20-6-4-3-5-7-20)24(19-8-9-21(28)22(29)17-19)34-26(35)18-10-13-30-14-11-18/h8-9,12,15,17-18,20,30H,2-7,10-11,13-14,16H2,1H3,(H,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant JNK3 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 21: 315-9 (2010) Article DOI: 10.1016/j.bmcl.2010.11.010 BindingDB Entry DOI: 10.7270/Q24F1R0T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin D (Homo sapiens (Human))	BDBM50438362 (CHEMBL2408752) Show SMILES CCC[C@]1(C)C[C@H](NC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)c2cc(CC(C)(C)C)ccc2O1 |r| Show InChI InChI=1S/C30H42F2N2O3/c1-7-10-30(6)17-26(24-13-20(16-29(3,4)5)8-9-28(24)37-30)33-18-27(36)25(34-19(2)35)14-21-11-22(31)15-23(32)12-21/h8-9,11-13,15,25-27,33,36H,7,10,14,16-18H2,1-6H3,(H,34,35)/t25-,26-,27+,30+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...				Bioorg Med Chem Lett 23: 4674-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.006 BindingDB Entry DOI: 10.7270/Q29W0GWT
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM16016 (CHEMBL437747 | N-cyclohexyl-4-[4-(3,4-dichlorophen...) Show SMILES CCCn1c(nc(c1-c1ccnc(NC2CCCCC2)n1)-c1ccc(Cl)c(Cl)c1)C1CCNCC1 Show InChI InChI=1S/C27H34Cl2N6/c1-2-16-35-25(23-12-15-31-27(33-23)32-20-6-4-3-5-7-20)24(19-8-9-21(28)22(29)17-19)34-26(35)18-10-13-30-14-11-18/h8-9,12,15,17-18,20,30H,2-7,10-11,13-14,16H2,1H3,(H,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant p38alpha after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 21: 315-9 (2010) Article DOI: 10.1016/j.bmcl.2010.11.010 BindingDB Entry DOI: 10.7270/Q24F1R0T
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50328778 (CHEMBL1270362 | N-((2S,3R)-4-(1-(3-(1,1-difluoro-2...) Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)(C)C(F)F |r| Show InChI InChI=1S/C25H30F4N2O2/c1-15(32)31-21(11-16-9-19(26)13-20(27)10-16)22(33)14-30-25(7-8-25)18-6-4-5-17(12-18)24(2,3)23(28)29/h4-6,9-10,12-13,21-23,30,33H,7-8,11,14H2,1-3H3,(H,31,32)/t21-,22+/m0/s1	PDB MMDB 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
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in presence of NADPH				Bioorg Med Chem Lett 20: 6231-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.102 BindingDB Entry DOI: 10.7270/Q2NZ87V9
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50438361 (CHEMBL2408753) Show SMILES COC[C@@]1(C)C[C@H](NC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)c2cc(CC(C)(C)C)ccc2O1 |r| Show InChI InChI=1S/C29H40F2N2O4/c1-18(34)33-24(12-20-9-21(30)13-22(31)10-20)26(35)16-32-25-15-29(5,17-36-6)37-27-8-7-19(11-23(25)27)14-28(2,3)4/h7-11,13,24-26,32,35H,12,14-17H2,1-6H3,(H,33,34)/t24-,25-,26+,29+/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	5	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...				Bioorg Med Chem Lett 23: 4674-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.006 BindingDB Entry DOI: 10.7270/Q29W0GWT
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50438360 (CHEMBL2408755) Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CC2(CC2)Oc2ccc(CC(C)(C)C)cc12 |r| Show InChI InChI=1S/C28H36F2N2O3/c1-17(33)32-23(12-19-9-20(29)13-21(30)10-19)25(34)16-31-24-15-28(7-8-28)35-26-6-5-18(11-22(24)26)14-27(2,3)4/h5-6,9-11,13,23-25,31,34H,7-8,12,14-16H2,1-4H3,(H,32,33)/t23-,24-,25+/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	6	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...				Bioorg Med Chem Lett 23: 4674-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.006 BindingDB Entry DOI: 10.7270/Q29W0GWT
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50438358 (CHEMBL2408757) Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CC(C)(C)Oc2ccc(CC(C)(C)C#N)cc12 |r| Show InChI InChI=1S/C28H35F2N3O3/c1-17(34)33-23(11-19-8-20(29)12-21(30)9-19)25(35)15-32-24-14-28(4,5)36-26-7-6-18(10-22(24)26)13-27(2,3)16-31/h6-10,12,23-25,32,35H,11,13-15H2,1-5H3,(H,33,34)/t23-,24-,25+/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	8	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...				Bioorg Med Chem Lett 23: 4674-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.006 BindingDB Entry DOI: 10.7270/Q29W0GWT
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50438359 (CHEMBL2408760) Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CCCc2ccc(CC(C)(C)C)cc12 |r| Show InChI InChI=1S/C27H36F2N2O2/c1-17(32)31-25(13-19-10-21(28)14-22(29)11-19)26(33)16-30-24-7-5-6-20-9-8-18(12-23(20)24)15-27(2,3)4/h8-12,14,24-26,30,33H,5-7,13,15-16H2,1-4H3,(H,31,32)/t24-,25-,26+/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	8	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...				Bioorg Med Chem Lett 23: 4674-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.006 BindingDB Entry DOI: 10.7270/Q29W0GWT
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50438357 (CHEMBL2408737) Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CCOc2ccc(CC(C)(C)C)cc12 |r| Show InChI InChI=1S/C26H34F2N2O3/c1-16(31)30-23(12-18-9-19(27)13-20(28)10-18)24(32)15-29-22-7-8-33-25-6-5-17(11-21(22)25)14-26(2,3)4/h5-6,9-11,13,22-24,29,32H,7-8,12,14-15H2,1-4H3,(H,30,31)/t22-,23-,24+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...				Bioorg Med Chem Lett 23: 4674-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.006 BindingDB Entry DOI: 10.7270/Q29W0GWT
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50333983 (4-(8-chloronaphthalen-2-yl)-3-(2-(tetrahydro-2H-py...) Show SMILES Clc1cccc2ccc(cc12)-n1c(n[nH]c1=O)-c1ccnc(NC2CCOCC2)c1 Show InChI InChI=1S/C22H20ClN5O2/c23-19-3-1-2-14-4-5-17(13-18(14)19)28-21(26-27-22(28)29)15-6-9-24-20(12-15)25-16-7-10-30-11-8-16/h1-6,9,12-13,16H,7-8,10-11H2,(H,24,25)(H,27,29)	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
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant JNK3 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 21: 315-9 (2010) Article DOI: 10.1016/j.bmcl.2010.11.010 BindingDB Entry DOI: 10.7270/Q24F1R0T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50334001 (3-(2-(cyclohexylamino)pyridin-4-yl)-4-(naphthalen-...) Show SMILES O=c1n(nc(-c2ccnc(NC3CCCCC3)c2)n1-c1ccc2ccccc2c1)C1CCOCC1 Show InChI InChI=1S/C28H31N5O2/c34-28-32(25-11-10-20-6-4-5-7-21(20)18-25)27(31-33(28)24-13-16-35-17-14-24)22-12-15-29-26(19-22)30-23-8-2-1-3-9-23/h4-7,10-12,15,18-19,23-24H,1-3,8-9,13-14,16-17H2,(H,29,30)	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	16	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant JNK3 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 21: 315-9 (2010) Article DOI: 10.1016/j.bmcl.2010.11.010 BindingDB Entry DOI: 10.7270/Q24F1R0T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin D (Homo sapiens (Human))	BDBM50438356 (CHEMBL2408756) Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CC(C)(C)Oc2ccc(CC(C)(F)F)cc12 |r| Show InChI InChI=1S/C26H32F4N2O3/c1-15(33)32-21(10-17-7-18(27)11-19(28)8-17)23(34)14-31-22-13-25(2,3)35-24-6-5-16(9-20(22)24)12-26(4,29)30/h5-9,11,21-23,31,34H,10,12-14H2,1-4H3,(H,32,33)/t21-,22-,23+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...				Bioorg Med Chem Lett 23: 4674-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.006 BindingDB Entry DOI: 10.7270/Q29W0GWT
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50438355 (CHEMBL2408750) Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CC(C)(C)Oc2ccc(CC(C)(C)C)cc12 |r| Show InChI InChI=1S/C28H38F2N2O3/c1-17(33)32-23(12-19-9-20(29)13-21(30)10-19)25(34)16-31-24-15-28(5,6)35-26-8-7-18(11-22(24)26)14-27(2,3)4/h7-11,13,23-25,31,34H,12,14-16H2,1-6H3,(H,32,33)/t23-,24-,25+/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	18	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...				Bioorg Med Chem Lett 23: 4674-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.006 BindingDB Entry DOI: 10.7270/Q29W0GWT
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50334000 (3-(2-(cyclohexylamino)pyridin-4-yl)-4-(naphthalen-...) Show SMILES O=c1n(CC2CCOCC2)nc(-c2ccnc(NC3CCCCC3)c2)n1-c1ccc2ccccc2c1 Show InChI InChI=1S/C29H33N5O2/c35-29-33(20-21-13-16-36-17-14-21)32-28(34(29)26-11-10-22-6-4-5-7-23(22)18-26)24-12-15-30-27(19-24)31-25-8-2-1-3-9-25/h4-7,10-12,15,18-19,21,25H,1-3,8-9,13-14,16-17,20H2,(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	22	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant JNK3 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 21: 315-9 (2010) Article DOI: 10.1016/j.bmcl.2010.11.010 BindingDB Entry DOI: 10.7270/Q24F1R0T
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50302838 (CHEMBL572081 | N-((2S,3R)-4-(1-(3-(1H-pyrazol-1-yl...) Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)-n1cccn1 |r| Show InChI InChI=1S/C27H32F2N4O2/c1-19(34)32-25(15-20-13-22(28)17-23(29)14-20)26(35)18-30-27(9-3-2-4-10-27)21-7-5-8-24(16-21)33-12-6-11-31-33/h5-8,11-14,16-17,25-26,30,35H,2-4,9-10,15,18H2,1H3,(H,32,34)/t25-,26+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of cathepsin-D				Bioorg Med Chem Lett 20: 6231-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.102 BindingDB Entry DOI: 10.7270/Q2NZ87V9
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50334008 (3-(2-(cyclohexylamino)pyridin-4-yl)-4-(naphthalen-...) Show SMILES O=c1[nH]nc(-c2ccnc(NC3CCCCC3)c2)n1-c1ccc2ccccc2c1 Show InChI InChI=1S/C23H23N5O/c29-23-27-26-22(28(23)20-11-10-16-6-4-5-7-17(16)14-20)18-12-13-24-21(15-18)25-19-8-2-1-3-9-19/h4-7,10-15,19H,1-3,8-9H2,(H,24,25)(H,27,29)	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	24	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant JNK3 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 21: 315-9 (2010) Article DOI: 10.1016/j.bmcl.2010.11.010 BindingDB Entry DOI: 10.7270/Q24F1R0T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50333997 (CHEMBL1644646 | methyl 4-(4-(naphthalen-2-yl)-5-ox...) Show SMILES COC(=O)N1CCC(CC1)n1nc(-c2ccnc(NC3CCOCC3)c2)n(-c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C29H32N6O4/c1-38-29(37)33-14-9-24(10-15-33)35-28(36)34(25-7-6-20-4-2-3-5-21(20)18-25)27(32-35)22-8-13-30-26(19-22)31-23-11-16-39-17-12-23/h2-8,13,18-19,23-24H,9-12,14-17H2,1H3,(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	24	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant JNK3 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 21: 315-9 (2010) Article DOI: 10.1016/j.bmcl.2010.11.010 BindingDB Entry DOI: 10.7270/Q24F1R0T
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50302841 (CHEMBL571860 | N-((2S,3R)-4-(1-(3-tert-butylphenyl...) Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C(C)(C)C |r| Show InChI InChI=1S/C28H38F2N2O2/c1-19(33)32-25(15-20-13-23(29)17-24(30)14-20)26(34)18-31-28(11-6-5-7-12-28)22-10-8-9-21(16-22)27(2,3)4/h8-10,13-14,16-17,25-26,31,34H,5-7,11-12,15,18H2,1-4H3,(H,32,33)/t25-,26+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of cathepsin-D				Bioorg Med Chem Lett 20: 6231-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.102 BindingDB Entry DOI: 10.7270/Q2NZ87V9
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50333980 (3-(2-(cyclohexylamino)pyridin-4-yl)-4-(naphthalen-...) Show SMILES O=c1n(Cc2ccncc2)nc(-c2ccnc(NC3CCCCC3)c2)n1-c1ccc2ccccc2c1 Show InChI InChI=1S/C29H28N6O/c36-29-34(20-21-12-15-30-16-13-21)33-28(35(29)26-11-10-22-6-4-5-7-23(22)18-26)24-14-17-31-27(19-24)32-25-8-2-1-3-9-25/h4-7,10-19,25H,1-3,8-9,20H2,(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant JNK3 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 21: 315-9 (2010) Article DOI: 10.1016/j.bmcl.2010.11.010 BindingDB Entry DOI: 10.7270/Q24F1R0T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50333987 (4-(naphthalen-2-yl)-3-(2-(tetrahydro-2H-pyran-3-yl...) Show SMILES O=c1[nH]nc(-c2ccnc(NC3CCCOC3)c2)n1-c1ccc2ccccc2c1 Show InChI InChI=1S/C22H21N5O2/c28-22-26-25-21(27(22)19-8-7-15-4-1-2-5-16(15)12-19)17-9-10-23-20(13-17)24-18-6-3-11-29-14-18/h1-2,4-5,7-10,12-13,18H,3,6,11,14H2,(H,23,24)(H,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant JNK3 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 21: 315-9 (2010) Article DOI: 10.1016/j.bmcl.2010.11.010 BindingDB Entry DOI: 10.7270/Q24F1R0T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50333989 (4-(naphthalen-2-yl)-3-(2-(tetrahydro-2H-pyran-4-yl...) Show SMILES FC(F)(F)CN1CCC(CC1)n1nc(-c2ccnc(NC3CCOCC3)c2)n(-c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C29H31F3N6O2/c30-29(31,32)19-36-13-8-24(9-14-36)38-28(39)37(25-6-5-20-3-1-2-4-21(20)17-25)27(35-38)22-7-12-33-26(18-22)34-23-10-15-40-16-11-23/h1-7,12,17-18,23-24H,8-11,13-16,19H2,(H,33,34)	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	36	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant JNK3 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 21: 315-9 (2010) Article DOI: 10.1016/j.bmcl.2010.11.010 BindingDB Entry DOI: 10.7270/Q24F1R0T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50333982 (4-(naphthalen-2-yl)-3-(2-(pyridin-2-ylamino)pyridi...) Show SMILES O=c1[nH]nc(-c2ccnc(Nc3ccccn3)c2)n1-c1ccc2ccccc2c1 Show InChI InChI=1S/C22H16N6O/c29-22-27-26-21(28(22)18-9-8-15-5-1-2-6-16(15)13-18)17-10-12-24-20(14-17)25-19-7-3-4-11-23-19/h1-14H,(H,27,29)(H,23,24,25)	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	40	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant JNK3 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 21: 315-9 (2010) Article DOI: 10.1016/j.bmcl.2010.11.010 BindingDB Entry DOI: 10.7270/Q24F1R0T
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50328778 (CHEMBL1270362 | N-((2S,3R)-4-(1-(3-(1,1-difluoro-2...) Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)(C)C(F)F |r| Show InChI InChI=1S/C25H30F4N2O2/c1-15(32)31-21(11-16-9-19(26)13-20(27)10-16)22(33)14-30-25(7-8-25)18-6-4-5-17(12-18)24(2,3)23(28)29/h4-6,9-10,12-13,21-23,30,33H,7-8,11,14H2,1-3H3,(H,31,32)/t21-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in presence of NADPH				Bioorg Med Chem Lett 20: 6231-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.102 BindingDB Entry DOI: 10.7270/Q2NZ87V9
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50302841 (CHEMBL571860 | N-((2S,3R)-4-(1-(3-tert-butylphenyl...) Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C(C)(C)C |r| Show InChI InChI=1S/C28H38F2N2O2/c1-19(33)32-25(15-20-13-23(29)17-24(30)14-20)26(34)18-31-28(11-6-5-7-12-28)22-10-8-9-21(16-22)27(2,3)4/h8-10,13-14,16-17,25-26,31,34H,5-7,11-12,15,18H2,1-4H3,(H,32,33)/t25-,26+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant BACE1 purified from Escherichia coli				Bioorg Med Chem Lett 20: 6231-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.102 BindingDB Entry DOI: 10.7270/Q2NZ87V9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50345617 (3-(2-(cyclohexylamino)pyridin-4-yl)-4-(naphthalen-...) Show SMILES S=c1[nH]nc(-c2ccnc(NC3CCCCC3)c2)n1-c1ccc2ccccc2c1 Show InChI InChI=1S/C23H23N5S/c29-23-27-26-22(28(23)20-11-10-16-6-4-5-7-17(16)14-20)18-12-13-24-21(15-18)25-19-8-2-1-3-9-19/h4-7,10-15,19H,1-3,8-9H2,(H,24,25)(H,27,29)	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	52.2	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of JNK3 by TR-FRET assay				Bioorg Med Chem Lett 21: 3726-9 (2011) Article DOI: 10.1016/j.bmcl.2011.04.074 BindingDB Entry DOI: 10.7270/Q2WQ044C
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50333998 (4-(8-fluoronaphthalen-2-yl)-3-(2-(tetrahydro-2H-py...) Show SMILES Fc1cccc2ccc(cc12)-n1c(n[nH]c1=O)-c1ccnc(NC2CCOCC2)c1 Show InChI InChI=1S/C22H20FN5O2/c23-19-3-1-2-14-4-5-17(13-18(14)19)28-21(26-27-22(28)29)15-6-9-24-20(12-15)25-16-7-10-30-11-8-16/h1-6,9,12-13,16H,7-8,10-11H2,(H,24,25)(H,27,29)	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	54	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant JNK3 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 21: 315-9 (2010) Article DOI: 10.1016/j.bmcl.2010.11.010 BindingDB Entry DOI: 10.7270/Q24F1R0T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50334007 (4-(naphthalen-2-yl)-1-(pyridin-2-ylmethyl)-3-(2-(t...) Show SMILES O=c1n(Cc2ccccn2)nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1 Show InChI InChI=1S/C28H26N6O2/c35-28-33(19-24-7-3-4-13-29-24)32-27(34(28)25-9-8-20-5-1-2-6-21(20)17-25)22-10-14-30-26(18-22)31-23-11-15-36-16-12-23/h1-10,13-14,17-18,23H,11-12,15-16,19H2,(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	54	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant JNK3 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 21: 315-9 (2010) Article DOI: 10.1016/j.bmcl.2010.11.010 BindingDB Entry DOI: 10.7270/Q24F1R0T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50333997 (CHEMBL1644646 | methyl 4-(4-(naphthalen-2-yl)-5-ox...) Show SMILES COC(=O)N1CCC(CC1)n1nc(-c2ccnc(NC3CCOCC3)c2)n(-c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C29H32N6O4/c1-38-29(37)33-14-9-24(10-15-33)35-28(36)34(25-7-6-20-4-2-3-5-21(20)18-25)27(32-35)22-8-13-30-26(19-22)31-23-11-16-39-17-12-23/h2-8,13,18-19,23-24H,9-12,14-17H2,1H3,(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	58	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant JNK2 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 21: 315-9 (2010) Article DOI: 10.1016/j.bmcl.2010.11.010 BindingDB Entry DOI: 10.7270/Q24F1R0T
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50438354 (CHEMBL2408758) Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CC(C)(C)Oc2ccc(OC(F)(F)F)cc12 |r| Show InChI InChI=1S/C24H27F5N2O4/c1-13(32)31-19(8-14-6-15(25)9-16(26)7-14)21(33)12-30-20-11-23(2,3)35-22-5-4-17(10-18(20)22)34-24(27,28)29/h4-7,9-10,19-21,30,33H,8,11-12H2,1-3H3,(H,31,32)/t19-,20-,21+/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	59	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...				Bioorg Med Chem Lett 23: 4674-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.006 BindingDB Entry DOI: 10.7270/Q29W0GWT
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50302838 (CHEMBL572081 | N-((2S,3R)-4-(1-(3-(1H-pyrazol-1-yl...) Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)-n1cccn1 |r| Show InChI InChI=1S/C27H32F2N4O2/c1-19(34)32-25(15-20-13-22(28)17-23(29)14-20)26(35)18-30-27(9-3-2-4-10-27)21-7-5-8-24(16-21)33-12-6-11-31-33/h5-8,11-14,16-17,25-26,30,35H,2-4,9-10,15,18H2,1H3,(H,32,34)/t25-,26+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant BACE1 purified from Escherichia coli				Bioorg Med Chem Lett 20: 6231-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.102 BindingDB Entry DOI: 10.7270/Q2NZ87V9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50302839 (CHEMBL570556 | N-((2S,3R)-4-(4-(3-tert-butylphenyl...) Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCOCC1)c1cccc(c1)C(C)(C)C |r| Show InChI InChI=1S/C27H36F2N2O3/c1-18(32)31-24(14-19-12-22(28)16-23(29)13-19)25(33)17-30-27(8-10-34-11-9-27)21-7-5-6-20(15-21)26(2,3)4/h5-7,12-13,15-16,24-25,30,33H,8-11,14,17H2,1-4H3,(H,31,32)/t24-,25+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant BACE1 purified from Escherichia coli				Bioorg Med Chem Lett 20: 6231-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.102 BindingDB Entry DOI: 10.7270/Q2NZ87V9
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50334003 (4-(naphthalen-2-yl)-3-(2-(phenylamino)pyridin-4-yl...) Show SMILES O=c1[nH]nc(-c2ccnc(Nc3ccccc3)c2)n1-c1ccc2ccccc2c1 Show InChI InChI=1S/C23H17N5O/c29-23-27-26-22(28(23)20-11-10-16-6-4-5-7-17(16)14-20)18-12-13-24-21(15-18)25-19-8-2-1-3-9-19/h1-15H,(H,24,25)(H,27,29)	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	61	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant JNK3 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 21: 315-9 (2010) Article DOI: 10.1016/j.bmcl.2010.11.010 BindingDB Entry DOI: 10.7270/Q24F1R0T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50334000 (3-(2-(cyclohexylamino)pyridin-4-yl)-4-(naphthalen-...) Show SMILES O=c1n(CC2CCOCC2)nc(-c2ccnc(NC3CCCCC3)c2)n1-c1ccc2ccccc2c1 Show InChI InChI=1S/C29H33N5O2/c35-29-33(20-21-13-16-36-17-14-21)32-28(34(29)26-11-10-22-6-4-5-7-23(22)18-26)24-12-15-30-27(19-24)31-25-8-2-1-3-9-25/h4-7,10-12,15,18-19,21,25H,1-3,8-9,13-14,16-17,20H2,(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	61	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant JNK2 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 21: 315-9 (2010) Article DOI: 10.1016/j.bmcl.2010.11.010 BindingDB Entry DOI: 10.7270/Q24F1R0T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50345617 (3-(2-(cyclohexylamino)pyridin-4-yl)-4-(naphthalen-...) Show SMILES S=c1[nH]nc(-c2ccnc(NC3CCCCC3)c2)n1-c1ccc2ccccc2c1 Show InChI InChI=1S/C23H23N5S/c29-23-27-26-22(28(23)20-11-10-16-6-4-5-7-17(16)14-20)18-12-13-24-21(15-18)25-19-8-2-1-3-9-19/h4-7,10-15,19H,1-3,8-9H2,(H,24,25)(H,27,29)	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	66.5	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of JNK2 by TR-FRET assay				Bioorg Med Chem Lett 21: 3726-9 (2011) Article DOI: 10.1016/j.bmcl.2011.04.074 BindingDB Entry DOI: 10.7270/Q2WQ044C
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50438353 (CHEMBL2408736) Show SMILES CN1CC[C@H](NC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)c2cc(CC(C)(C)C)ccc12 |r| Show InChI InChI=1S/C27H37F2N3O2/c1-17(33)31-24(13-19-10-20(28)14-21(29)11-19)26(34)16-30-23-8-9-32(5)25-7-6-18(12-22(23)25)15-27(2,3)4/h6-7,10-12,14,23-24,26,30,34H,8-9,13,15-16H2,1-5H3,(H,31,33)/t23-,24-,26+/m0/s1	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	68	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...				Bioorg Med Chem Lett 23: 4674-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.006 BindingDB Entry DOI: 10.7270/Q29W0GWT
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50334008 (3-(2-(cyclohexylamino)pyridin-4-yl)-4-(naphthalen-...) Show SMILES O=c1[nH]nc(-c2ccnc(NC3CCCCC3)c2)n1-c1ccc2ccccc2c1 Show InChI InChI=1S/C23H23N5O/c29-23-27-26-22(28(23)20-11-10-16-6-4-5-7-17(16)14-20)18-12-13-24-21(15-18)25-19-8-2-1-3-9-19/h4-7,10-15,19H,1-3,8-9H2,(H,24,25)(H,27,29)	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	69	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant JNK2 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 21: 315-9 (2010) Article DOI: 10.1016/j.bmcl.2010.11.010 BindingDB Entry DOI: 10.7270/Q24F1R0T
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50438352 (CHEMBL2408744) Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CCOc2ccc(CC(C)(C)C#N)cc12 |r| Show InChI InChI=1S/C26H31F2N3O3/c1-16(32)31-23(11-18-8-19(27)12-20(28)9-18)24(33)14-30-22-6-7-34-25-5-4-17(10-21(22)25)13-26(2,3)15-29/h4-5,8-10,12,22-24,30,33H,6-7,11,13-14H2,1-3H3,(H,31,32)/t22-,23-,24+/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	70	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...				Bioorg Med Chem Lett 23: 4674-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.006 BindingDB Entry DOI: 10.7270/Q29W0GWT
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50333990 (4-(6-fluoronaphthalen-2-yl)-3-(2-(tetrahydro-2H-py...) Show SMILES Fc1ccc2cc(ccc2c1)-n1c(n[nH]c1=O)-c1ccnc(NC2CCOCC2)c1 Show InChI InChI=1S/C22H20FN5O2/c23-17-3-1-15-12-19(4-2-14(15)11-17)28-21(26-27-22(28)29)16-5-8-24-20(13-16)25-18-6-9-30-10-7-18/h1-5,8,11-13,18H,6-7,9-10H2,(H,24,25)(H,27,29)	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	70	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant JNK3 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 21: 315-9 (2010) Article DOI: 10.1016/j.bmcl.2010.11.010 BindingDB Entry DOI: 10.7270/Q24F1R0T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50333992 (3-(2-(cyclobutylamino)pyridin-4-yl)-4-(naphthalen-...) Show SMILES O=c1[nH]nc(-c2ccnc(NC3CCC3)c2)n1-c1ccc2ccccc2c1 Show InChI InChI=1S/C21H19N5O/c27-21-25-24-20(16-10-11-22-19(13-16)23-17-6-3-7-17)26(21)18-9-8-14-4-1-2-5-15(14)12-18/h1-2,4-5,8-13,17H,3,6-7H2,(H,22,23)(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	70	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant JNK3 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 21: 315-9 (2010) Article DOI: 10.1016/j.bmcl.2010.11.010 BindingDB Entry DOI: 10.7270/Q24F1R0T
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50438351 (CHEMBL2408765) Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CCCc2ccc(cc12)C(C)(C)C |r| Show InChI InChI=1S/C26H34F2N2O2/c1-16(31)30-24(12-17-10-20(27)14-21(28)11-17)25(32)15-29-23-7-5-6-18-8-9-19(13-22(18)23)26(2,3)4/h8-11,13-14,23-25,29,32H,5-7,12,15H2,1-4H3,(H,30,31)/t23-,24-,25+/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	74	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...				Bioorg Med Chem Lett 23: 4674-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.006 BindingDB Entry DOI: 10.7270/Q29W0GWT
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50438350 (CHEMBL2408763) Show SMILES CCCCc1ccc2CCC[C@H](NC[C@@H](O)[C@H](Cc3cc(F)cc(F)c3)NC(C)=O)c2c1 |r| Show InChI InChI=1S/C26H34F2N2O2/c1-3-4-6-18-9-10-20-7-5-8-24(23(20)13-18)29-16-26(32)25(30-17(2)31)14-19-11-21(27)15-22(28)12-19/h9-13,15,24-26,29,32H,3-8,14,16H2,1-2H3,(H,30,31)/t24-,25-,26+/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	77	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...				Bioorg Med Chem Lett 23: 4674-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.006 BindingDB Entry DOI: 10.7270/Q29W0GWT
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50438349 (CHEMBL2408742) Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CCOc2ccc(CC(C)(C)F)cc12 |r| Show InChI InChI=1S/C25H31F3N2O3/c1-15(31)30-22(11-17-8-18(26)12-19(27)9-17)23(32)14-29-21-6-7-33-24-5-4-16(10-20(21)24)13-25(2,3)28/h4-5,8-10,12,21-23,29,32H,6-7,11,13-14H2,1-3H3,(H,30,31)/t21-,22-,23+/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	80	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of cathepsin-D (unknown origin) using C-terminal biotinylated peptide substrate treated 30 mins before addition of peptide substrate measu...				Bioorg Med Chem Lett 23: 4674-9 (2013) Article DOI: 10.1016/j.bmcl.2013.06.006 BindingDB Entry DOI: 10.7270/Q29W0GWT
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50333994 (4-(naphthalen-2-yl)-3-(2-(tetrahydro-2H-pyran-4-yl...) Show SMILES O=c1[nH]nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1 Show InChI InChI=1S/C22H21N5O2/c28-22-26-25-21(27(22)19-6-5-15-3-1-2-4-16(15)13-19)17-7-10-23-20(14-17)24-18-8-11-29-12-9-18/h1-7,10,13-14,18H,8-9,11-12H2,(H,23,24)(H,26,28)	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	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant JNK3 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 21: 315-9 (2010) Article DOI: 10.1016/j.bmcl.2010.11.010 BindingDB Entry DOI: 10.7270/Q24F1R0T
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50323493 (CHEMBL1209106 | N-((2S,3R)-1-(3,5-difluorophenyl)-...) Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C1CCOC1 |r| Show InChI InChI=1S/C28H36F2N2O3/c1-19(33)32-26(14-20-12-24(29)16-25(30)13-20)27(34)17-31-28(9-3-2-4-10-28)23-7-5-6-21(15-23)22-8-11-35-18-22/h5-7,12-13,15-16,22,26-27,31,34H,2-4,8-11,14,17-18H2,1H3,(H,32,33)/t22?,26-,27+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant BACE1 purified from Escherichia coli				Bioorg Med Chem Lett 20: 6231-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.102 BindingDB Entry DOI: 10.7270/Q2NZ87V9
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50333996 (4-(naphthalen-2-yl)-3-(2-(tetrahydro-2H-pyran-4-yl...) Show SMILES O=c1n(nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1)C1CCOC1 Show InChI InChI=1S/C26H27N5O3/c32-26-30(22-6-5-18-3-1-2-4-19(18)15-22)25(29-31(26)23-10-14-34-17-23)20-7-11-27-24(16-20)28-21-8-12-33-13-9-21/h1-7,11,15-16,21,23H,8-10,12-14,17H2,(H,27,28)	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	92	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant JNK3 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 21: 315-9 (2010) Article DOI: 10.1016/j.bmcl.2010.11.010 BindingDB Entry DOI: 10.7270/Q24F1R0T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50334007 (4-(naphthalen-2-yl)-1-(pyridin-2-ylmethyl)-3-(2-(t...) Show SMILES O=c1n(Cc2ccccn2)nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1 Show InChI InChI=1S/C28H26N6O2/c35-28-33(19-24-7-3-4-13-29-24)32-27(34(28)25-9-8-20-5-1-2-6-21(20)17-25)22-10-14-30-26(18-22)31-23-11-15-36-16-12-23/h1-10,13-14,17-18,23H,11-12,15-16,19H2,(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	93	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant JNK2 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 21: 315-9 (2010) Article DOI: 10.1016/j.bmcl.2010.11.010 BindingDB Entry DOI: 10.7270/Q24F1R0T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 10 (Homo sapiens (Human))	BDBM50334004 (4-(8-aminonaphthalen-2-yl)-3-(2-(tetrahydro-2H-pyr...) Show SMILES Nc1cccc2ccc(cc12)-n1c(n[nH]c1=O)-c1ccnc(NC2CCOCC2)c1 Show InChI InChI=1S/C22H22N6O2/c23-19-3-1-2-14-4-5-17(13-18(14)19)28-21(26-27-22(28)29)15-6-9-24-20(12-15)25-16-7-10-30-11-8-16/h1-6,9,12-13,16H,7-8,10-11,23H2,(H,24,25)(H,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant JNK3 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 21: 315-9 (2010) Article DOI: 10.1016/j.bmcl.2010.11.010 BindingDB Entry DOI: 10.7270/Q24F1R0T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50334001 (3-(2-(cyclohexylamino)pyridin-4-yl)-4-(naphthalen-...) Show SMILES O=c1n(nc(-c2ccnc(NC3CCCCC3)c2)n1-c1ccc2ccccc2c1)C1CCOCC1 Show InChI InChI=1S/C28H31N5O2/c34-28-32(25-11-10-20-6-4-5-7-21(20)18-25)27(31-33(28)24-13-16-35-17-14-24)22-12-15-29-26(19-22)30-23-8-2-1-3-9-23/h4-7,10-12,15,18-19,23-24H,1-3,8-9,13-14,16-17H2,(H,29,30)	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	97	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant JNK2 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 21: 315-9 (2010) Article DOI: 10.1016/j.bmcl.2010.11.010 BindingDB Entry DOI: 10.7270/Q24F1R0T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50333980 (3-(2-(cyclohexylamino)pyridin-4-yl)-4-(naphthalen-...) Show SMILES O=c1n(Cc2ccncc2)nc(-c2ccnc(NC3CCCCC3)c2)n1-c1ccc2ccccc2c1 Show InChI InChI=1S/C29H28N6O/c36-29-34(20-21-12-15-30-16-13-21)33-28(35(29)26-11-10-22-6-4-5-7-23(22)18-26)24-14-17-31-27(19-24)32-25-8-2-1-3-9-25/h4-7,10-19,25H,1-3,8-9,20H2,(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant JNK2 after 60 mins by TR-FRET assay				Bioorg Med Chem Lett 21: 315-9 (2010) Article DOI: 10.1016/j.bmcl.2010.11.010 BindingDB Entry DOI: 10.7270/Q24F1R0T
					More data for this Ligand-Target Pair

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