Compile Data Set for Download or QSAR

Found 110 hits with Last Name = 'nishio' and Initial = 'y'   

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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50351401 (CHEMBL1819091) Show SMILES CC[C@@]1(N)CCCN(C1)c1cc2n(C)c(=O)n(C)c(=O)c2n1Cc1cc(F)ccc1C#N |r| Show InChI InChI=1S/C23H27FN6O2/c1-4-23(26)8-5-9-29(14-23)19-11-18-20(21(31)28(3)22(32)27(18)2)30(19)13-16-10-17(24)7-6-15(16)12-25/h6-7,10-11H,4-5,8-9,13-14,26H2,1-3H3/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co. Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes pre-incubated for 15 mins by LC/MS/MS analysis				Bioorg Med Chem 19: 5490-9 (2011) Article DOI: 10.1016/j.bmc.2011.07.042 BindingDB Entry DOI: 10.7270/Q2T72HT6
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50351399 (CHEMBL1819089) Show SMILES Cn1c2cc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C21H23FN6O2/c1-25-17-9-18(27-7-3-4-16(24)12-27)28(19(17)20(29)26(2)21(25)30)11-14-8-15(22)6-5-13(14)10-23/h5-6,8-9,16H,3-4,7,11-12,24H2,1-2H3/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co. Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes pre-incubated for 15 mins by LC/MS/MS analysis				Bioorg Med Chem 19: 5490-9 (2011) Article DOI: 10.1016/j.bmc.2011.07.042 BindingDB Entry DOI: 10.7270/Q2T72HT6
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50351399 (CHEMBL1819089) Show SMILES Cn1c2cc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C21H23FN6O2/c1-25-17-9-18(27-7-3-4-16(24)12-27)28(19(17)20(29)26(2)21(25)30)11-14-8-15(22)6-5-13(14)10-23/h5-6,8-9,16H,3-4,7,11-12,24H2,1-2H3/t16-/m1/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	0.340	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co. Ltd Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma assessed as formation of 7-amino-4-methylcoumarin from glycyl-L-proline 4-methylcoumaryl-7-amide by fluorescence a...				Bioorg Med Chem 19: 5490-9 (2011) Article DOI: 10.1016/j.bmc.2011.07.042 BindingDB Entry DOI: 10.7270/Q2T72HT6
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11695 ((2S)-1-{2-[(3-hydroxyadamantan-1-yl)amino]acetyl}p...) Show SMILES OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N |r,TLB:9:8:6:3.2.4,4:3:10:7.6.5,4:5:10:3.2.9,THB:9:3:6:10.7.8,11:8:6:3.2.4| Show InChI InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co. Ltd Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma assessed as formation of 7-amino-4-methylcoumarin from glycyl-L-proline 4-methylcoumaryl-7-amide by fluorescence a...				Bioorg Med Chem 19: 5490-9 (2011) Article DOI: 10.1016/j.bmc.2011.07.042 BindingDB Entry DOI: 10.7270/Q2T72HT6
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM16285 (2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-di...) Show SMILES Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O |r| Show InChI InChI=1S/C18H21N5O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co. Ltd Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma assessed as formation of 7-amino-4-methylcoumarin from glycyl-L-proline 4-methylcoumaryl-7-amide by fluorescence a...				Bioorg Med Chem 19: 5490-9 (2011) Article DOI: 10.1016/j.bmc.2011.07.042 BindingDB Entry DOI: 10.7270/Q2T72HT6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50351402 (CHEMBL1819090) Show SMILES Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C22H25FN6O2/c1-22(25)7-4-8-28(13-22)18-10-17-19(20(30)27(3)21(31)26(17)2)29(18)12-15-9-16(23)6-5-14(15)11-24/h5-6,9-10H,4,7-8,12-13,25H2,1-3H3/t22-/m1/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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co. Ltd Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma assessed as formation of 7-amino-4-methylcoumarin from glycyl-L-proline 4-methylcoumaryl-7-amide by fluorescence a...				Bioorg Med Chem 19: 5490-9 (2011) Article DOI: 10.1016/j.bmc.2011.07.042 BindingDB Entry DOI: 10.7270/Q2T72HT6
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50332236 ((R)-6-(3-amino-3-methylpiperidin-1-yl)-5-benzyl-3-...) Show SMILES Cn1c(=O)[nH]c2cc(N3CCC[C@@](C)(N)C3)n(Cc3ccccc3)c2c1=O |r| Show InChI InChI=1S/C20H25N5O2/c1-20(21)9-6-10-24(13-20)16-11-15-17(18(26)23(2)19(27)22-15)25(16)12-14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10,12-13,21H2,1-2H3,(H,22,27)/t20-/m1/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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human plasma DPP4				Bioorg Med Chem Lett 20: 7246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.101 BindingDB Entry DOI: 10.7270/Q2BK1CMK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11162 ((1R)-3-oxo-3-[3-(trifluoroethyl)-5,6-dihydro[1,2,4...) Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co. Ltd Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma assessed as formation of 7-amino-4-methylcoumarin from glycyl-L-proline 4-methylcoumaryl-7-amide by fluorescence a...				Bioorg Med Chem 19: 5490-9 (2011) Article DOI: 10.1016/j.bmc.2011.07.042 BindingDB Entry DOI: 10.7270/Q2T72HT6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50332233 ((R)-2-((6-(3-amino-3-methylpiperidin-1-yl)-1-ethyl...) Show SMILES CCn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C23H27FN6O2/c1-4-29-18-11-19(28-9-5-8-23(2,26)14-28)30(20(18)21(31)27(3)22(29)32)13-16-10-17(24)7-6-15(16)12-25/h6-7,10-11H,4-5,8-9,13-14,26H2,1-3H3/t23-/m1/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	12	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human plasma DPP4				Bioorg Med Chem Lett 20: 7246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.101 BindingDB Entry DOI: 10.7270/Q2BK1CMK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50332234 ((R)-2-(6-(3-amino-3-methylpiperidin-1-yl)-5-(2-chl...) Show SMILES CN(C)C(=O)Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3Cl)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C24H30ClFN6O3/c1-24(27)8-5-9-30(14-24)19-11-18-21(32(19)12-15-10-16(26)6-7-17(15)25)22(34)29(4)23(35)31(18)13-20(33)28(2)3/h6-7,10-11H,5,8-9,12-14,27H2,1-4H3/t24-/m1/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	13	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human plasma DPP4				Bioorg Med Chem Lett 20: 7246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.101 BindingDB Entry DOI: 10.7270/Q2BK1CMK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50332235 ((R)-6-(3-amino-3-methylpiperidin-1-yl)-5-(2-chloro...) Show SMILES Cn1c(=O)n(CCCO)c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3Cl)c2c1=O |r| Show InChI InChI=1S/C23H29ClFN5O3/c1-23(26)7-3-8-28(14-23)19-12-18-20(21(32)27(2)22(33)29(18)9-4-10-31)30(19)13-15-11-16(25)5-6-17(15)24/h5-6,11-12,31H,3-4,7-10,13-14,26H2,1-2H3/t23-/m1/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	23	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human plasma DPP4				Bioorg Med Chem Lett 20: 7246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.101 BindingDB Entry DOI: 10.7270/Q2BK1CMK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50332229 ((R)-6-(3-amino-3-methylpiperidin-1-yl)-5-(5-fluoro...) Show SMILES Cc1ccc(F)cc1Cn1c(cc2ncn(C)c(=O)c12)N1CCC[C@@](C)(N)C1 |r| Show InChI InChI=1S/C21H26FN5O/c1-14-5-6-16(22)9-15(14)11-27-18(26-8-4-7-21(2,23)12-26)10-17-19(27)20(28)25(3)13-24-17/h5-6,9-10,13H,4,7-8,11-12,23H2,1-3H3/t21-/m1/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	23	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human plasma DPP4				Bioorg Med Chem Lett 20: 7246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.101 BindingDB Entry DOI: 10.7270/Q2BK1CMK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50351401 (CHEMBL1819091) Show SMILES CC[C@@]1(N)CCCN(C1)c1cc2n(C)c(=O)n(C)c(=O)c2n1Cc1cc(F)ccc1C#N |r| Show InChI InChI=1S/C23H27FN6O2/c1-4-23(26)8-5-9-29(14-23)19-11-18-20(21(31)28(3)22(32)27(18)2)30(19)13-16-10-17(24)7-6-15(16)12-25/h6-7,10-11H,4-5,8-9,13-14,26H2,1-3H3/t23-/m1/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	26	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co. Ltd Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma assessed as formation of 7-amino-4-methylcoumarin from glycyl-L-proline 4-methylcoumaryl-7-amide by fluorescence a...				Bioorg Med Chem 19: 5490-9 (2011) Article DOI: 10.1016/j.bmc.2011.07.042 BindingDB Entry DOI: 10.7270/Q2T72HT6
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50332232 ((R)-6-(3-amino-3-methylpiperidin-1-yl)-5-(5-fluoro...) Show SMILES Cc1ccc(F)cc1Cn1c(cc2n(C)c(=O)n(C)c(=O)c12)N1CCC[C@@](C)(N)C1 |r| Show InChI InChI=1S/C22H28FN5O2/c1-14-6-7-16(23)10-15(14)12-28-18(27-9-5-8-22(2,24)13-27)11-17-19(28)20(29)26(4)21(30)25(17)3/h6-7,10-11H,5,8-9,12-13,24H2,1-4H3/t22-/m1/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	27	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human plasma DPP4				Bioorg Med Chem Lett 20: 7246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.101 BindingDB Entry DOI: 10.7270/Q2BK1CMK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50332231 ((R)-6-(3-amino-3-methylpiperidin-1-yl)-5-(2-chloro...) Show SMILES Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3Cl)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C21H25ClFN5O2/c1-21(24)7-4-8-27(12-21)17-10-16-18(19(29)26(3)20(30)25(16)2)28(17)11-13-9-14(23)5-6-15(13)22/h5-6,9-10H,4,7-8,11-12,24H2,1-3H3/t21-/m1/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	28	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human plasma DPP4				Bioorg Med Chem Lett 20: 7246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.101 BindingDB Entry DOI: 10.7270/Q2BK1CMK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50332237 ((R)-2-((6-(3-amino-3-methylpiperidin-1-yl)-1,3-dim...) Show SMILES Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3ccccc3C#N)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C22H26N6O2/c1-22(24)9-6-10-27(14-22)18-11-17-19(20(29)26(3)21(30)25(17)2)28(18)13-16-8-5-4-7-15(16)12-23/h4-5,7-8,11H,6,9-10,13-14,24H2,1-3H3/t22-/m1/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	36	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human plasma DPP4				Bioorg Med Chem Lett 20: 7246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.101 BindingDB Entry DOI: 10.7270/Q2BK1CMK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50332240 ((R)-2-((6-(3-amino-3-methylpiperidin-1-yl)-3-methy...) Show SMILES Cn1cnc2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c1=O |r| Show InChI InChI=1S/C21H23FN6O/c1-21(24)6-3-7-27(12-21)18-9-17-19(20(29)26(2)13-25-17)28(18)11-15-8-16(22)5-4-14(15)10-23/h4-5,8-9,13H,3,6-7,11-12,24H2,1-2H3/t21-/m1/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	87	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human plasma DPP4				Bioorg Med Chem Lett 20: 7246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.101 BindingDB Entry DOI: 10.7270/Q2BK1CMK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50332239 ((R)-6-(3-amino-3-methylpiperidin-1-yl)-5-(2-chloro...) Show SMILES Cn1cnc2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3Cl)c2c1=O |r| Show InChI InChI=1S/C20H23ClFN5O/c1-20(23)6-3-7-26(11-20)17-9-16-18(19(28)25(2)12-24-16)27(17)10-13-8-14(22)4-5-15(13)21/h4-5,8-9,12H,3,6-7,10-11,23H2,1-2H3/t20-/m1/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	103	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human plasma DPP4				Bioorg Med Chem Lett 20: 7246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.101 BindingDB Entry DOI: 10.7270/Q2BK1CMK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50332238 ((R)-6-(3-amino-3-methylpiperidin-1-yl)-5-(2-chloro...) Show SMILES CCOCCCn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3Cl)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C25H33ClFN5O3/c1-4-35-12-6-11-31-20-14-21(30-10-5-9-25(2,28)16-30)32(22(20)23(33)29(3)24(31)34)15-17-13-18(27)7-8-19(17)26/h7-8,13-14H,4-6,9-12,15-16,28H2,1-3H3/t25-/m1/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	122	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human plasma DPP4				Bioorg Med Chem Lett 20: 7246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.101 BindingDB Entry DOI: 10.7270/Q2BK1CMK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50332230 ((R)-2-((6-(3-amino-3-methylpiperidin-1-yl)-3-methy...) Show SMILES Cn1cnc2cc(N3CCC[C@@](C)(N)C3)n(Cc3ccccc3C#N)c2c1=O |r| Show InChI InChI=1S/C21H24N6O/c1-21(23)8-5-9-26(13-21)18-10-17-19(20(28)25(2)14-24-17)27(18)12-16-7-4-3-6-15(16)11-22/h3-4,6-7,10,14H,5,8-9,12-13,23H2,1-2H3/t21-/m1/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	151	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human plasma DPP4				Bioorg Med Chem Lett 20: 7246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.101 BindingDB Entry DOI: 10.7270/Q2BK1CMK
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50332235 ((R)-6-(3-amino-3-methylpiperidin-1-yl)-5-(2-chloro...) Show SMILES Cn1c(=O)n(CCCO)c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3Cl)c2c1=O |r| Show InChI InChI=1S/C23H29ClFN5O3/c1-23(26)7-3-8-28(14-23)19-12-18-20(21(32)27(2)22(33)29(18)9-4-10-31)30(19)13-15-11-16(25)5-6-17(15)24/h5-6,11-12,31H,3-4,7-10,13-14,26H2,1-2H3/t23-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes after 10 mins				Bioorg Med Chem Lett 20: 7246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.101 BindingDB Entry DOI: 10.7270/Q2BK1CMK
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50332233 ((R)-2-((6-(3-amino-3-methylpiperidin-1-yl)-1-ethyl...) Show SMILES CCn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C23H27FN6O2/c1-4-29-18-11-19(28-9-5-8-23(2,26)14-28)30(20(18)21(31)27(3)22(29)32)13-16-10-17(24)7-6-15(16)12-25/h6-7,10-11H,4-5,8-9,13-14,26H2,1-3H3/t23-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes after 10 mins				Bioorg Med Chem Lett 20: 7246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.101 BindingDB Entry DOI: 10.7270/Q2BK1CMK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50351400 (CHEMBL1819092) Show SMILES CC[C@]1(N)CCCN(C1)c1cc2n(C)c(=O)n(C)c(=O)c2n1Cc1cc(F)ccc1C#N |r| Show InChI InChI=1S/C23H27FN6O2/c1-4-23(26)8-5-9-29(14-23)19-11-18-20(21(31)28(3)22(32)27(18)2)30(19)13-16-10-17(24)7-6-15(16)12-25/h6-7,10-11H,4-5,8-9,13-14,26H2,1-3H3/t23-/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	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co. Ltd Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma assessed as formation of 7-amino-4-methylcoumarin from glycyl-L-proline 4-methylcoumaryl-7-amide by fluorescence a...				Bioorg Med Chem 19: 5490-9 (2011) Article DOI: 10.1016/j.bmc.2011.07.042 BindingDB Entry DOI: 10.7270/Q2T72HT6
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50351399 (CHEMBL1819089) Show SMILES Cn1c2cc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C21H23FN6O2/c1-25-17-9-18(27-7-3-4-16(24)12-27)28(19(17)20(29)26(2)21(25)30)11-14-8-15(22)6-5-13(14)10-23/h5-6,8-9,16H,3-4,7,11-12,24H2,1-2H3/t16-/m1/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	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co. Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem 19: 5490-9 (2011) Article DOI: 10.1016/j.bmc.2011.07.042 BindingDB Entry DOI: 10.7270/Q2T72HT6
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50332231 ((R)-6-(3-amino-3-methylpiperidin-1-yl)-5-(2-chloro...) Show SMILES Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3Cl)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C21H25ClFN5O2/c1-21(24)7-4-8-27(12-21)17-10-16-18(19(29)26(3)20(30)25(16)2)28(17)11-13-9-14(23)5-6-15(13)22/h5-6,9-10H,4,7-8,11-12,24H2,1-3H3/t21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes after 10 mins				Bioorg Med Chem Lett 20: 7246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.101 BindingDB Entry DOI: 10.7270/Q2BK1CMK
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50351399 (CHEMBL1819089) Show SMILES Cn1c2cc(N3CCC[C@@H](N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C21H23FN6O2/c1-25-17-9-18(27-7-3-4-16(24)12-27)28(19(17)20(29)26(2)21(25)30)11-14-8-15(22)6-5-13(14)10-23/h5-6,8-9,16H,3-4,7,11-12,24H2,1-2H3/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co. Ltd Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem 19: 5490-9 (2011) Article DOI: 10.1016/j.bmc.2011.07.042 BindingDB Entry DOI: 10.7270/Q2T72HT6
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50332235 ((R)-6-(3-amino-3-methylpiperidin-1-yl)-5-(2-chloro...) Show SMILES Cn1c(=O)n(CCCO)c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3Cl)c2c1=O |r| Show InChI InChI=1S/C23H29ClFN5O3/c1-23(26)7-3-8-28(14-23)19-12-18-20(21(32)27(2)22(33)29(18)9-4-10-31)30(19)13-15-11-16(25)5-6-17(15)24/h5-6,11-12,31H,3-4,7-10,13-14,26H2,1-2H3/t23-/m1/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	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes after 10 mins				Bioorg Med Chem Lett 20: 7246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.101 BindingDB Entry DOI: 10.7270/Q2BK1CMK
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50332233 ((R)-2-((6-(3-amino-3-methylpiperidin-1-yl)-1-ethyl...) Show SMILES CCn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C23H27FN6O2/c1-4-29-18-11-19(28-9-5-8-23(2,26)14-28)30(20(18)21(31)27(3)22(29)32)13-16-10-17(24)7-6-15(16)12-25/h6-7,10-11H,4-5,8-9,13-14,26H2,1-3H3/t23-/m1/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	9.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes after 10 mins				Bioorg Med Chem Lett 20: 7246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.101 BindingDB Entry DOI: 10.7270/Q2BK1CMK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM50332240 ((R)-2-((6-(3-amino-3-methylpiperidin-1-yl)-3-methy...) Show SMILES Cn1cnc2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c1=O |r| Show InChI InChI=1S/C21H23FN6O/c1-21(24)6-3-7-27(12-21)18-9-17-19(20(29)26(2)13-25-17)28(18)11-15-8-16(22)5-4-14(15)10-23/h4-5,8-9,13H,3,6-7,11-12,24H2,1-2H3/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of DPP9				Bioorg Med Chem Lett 20: 7246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.101 BindingDB Entry DOI: 10.7270/Q2BK1CMK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM50332239 ((R)-6-(3-amino-3-methylpiperidin-1-yl)-5-(2-chloro...) Show SMILES Cn1cnc2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3Cl)c2c1=O |r| Show InChI InChI=1S/C20H23ClFN5O/c1-20(23)6-3-7-26(11-20)17-9-16-18(19(28)25(2)12-24-16)27(17)10-13-8-14(22)4-5-15(13)21/h4-5,8-9,12H,3,6-7,10-11,23H2,1-2H3/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of DPP9				Bioorg Med Chem Lett 20: 7246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.101 BindingDB Entry DOI: 10.7270/Q2BK1CMK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM50332238 ((R)-6-(3-amino-3-methylpiperidin-1-yl)-5-(2-chloro...) Show SMILES CCOCCCn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3Cl)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C25H33ClFN5O3/c1-4-35-12-6-11-31-20-14-21(30-10-5-9-25(2,28)16-30)32(22(20)23(33)29(3)24(31)34)15-17-13-18(27)7-8-19(17)26/h7-8,13-14H,4-6,9-12,15-16,28H2,1-3H3/t25-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of DPP9				Bioorg Med Chem Lett 20: 7246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.101 BindingDB Entry DOI: 10.7270/Q2BK1CMK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM50332235 ((R)-6-(3-amino-3-methylpiperidin-1-yl)-5-(2-chloro...) Show SMILES Cn1c(=O)n(CCCO)c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3Cl)c2c1=O |r| Show InChI InChI=1S/C23H29ClFN5O3/c1-23(26)7-3-8-28(14-23)19-12-18-20(21(32)27(2)22(33)29(18)9-4-10-31)30(19)13-15-11-16(25)5-6-17(15)24/h5-6,11-12,31H,3-4,7-10,13-14,26H2,1-2H3/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of DPP9				Bioorg Med Chem Lett 20: 7246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.101 BindingDB Entry DOI: 10.7270/Q2BK1CMK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM50332234 ((R)-2-(6-(3-amino-3-methylpiperidin-1-yl)-5-(2-chl...) Show SMILES CN(C)C(=O)Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3Cl)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C24H30ClFN6O3/c1-24(27)8-5-9-30(14-24)19-11-18-21(32(19)12-15-10-16(26)6-7-17(15)25)22(34)29(4)23(35)31(18)13-20(33)28(2)3/h6-7,10-11H,5,8-9,12-14,27H2,1-4H3/t24-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of DPP9				Bioorg Med Chem Lett 20: 7246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.101 BindingDB Entry DOI: 10.7270/Q2BK1CMK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM50332233 ((R)-2-((6-(3-amino-3-methylpiperidin-1-yl)-1-ethyl...) Show SMILES CCn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C23H27FN6O2/c1-4-29-18-11-19(28-9-5-8-23(2,26)14-28)30(20(18)21(31)27(3)22(29)32)13-16-10-17(24)7-6-15(16)12-25/h6-7,10-11H,4-5,8-9,13-14,26H2,1-3H3/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of DPP9				Bioorg Med Chem Lett 20: 7246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.101 BindingDB Entry DOI: 10.7270/Q2BK1CMK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM50332232 ((R)-6-(3-amino-3-methylpiperidin-1-yl)-5-(5-fluoro...) Show SMILES Cc1ccc(F)cc1Cn1c(cc2n(C)c(=O)n(C)c(=O)c12)N1CCC[C@@](C)(N)C1 |r| Show InChI InChI=1S/C22H28FN5O2/c1-14-6-7-16(23)10-15(14)12-28-18(27-9-5-8-22(2,24)13-27)11-17-19(28)20(29)26(4)21(30)25(17)3/h6-7,10-11H,5,8-9,12-13,24H2,1-4H3/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of DPP9				Bioorg Med Chem Lett 20: 7246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.101 BindingDB Entry DOI: 10.7270/Q2BK1CMK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM50332231 ((R)-6-(3-amino-3-methylpiperidin-1-yl)-5-(2-chloro...) Show SMILES Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3Cl)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C21H25ClFN5O2/c1-21(24)7-4-8-27(12-21)17-10-16-18(19(29)26(3)20(30)25(16)2)28(17)11-13-9-14(23)5-6-15(13)22/h5-6,9-10H,4,7-8,11-12,24H2,1-3H3/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of DPP9				Bioorg Med Chem Lett 20: 7246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.101 BindingDB Entry DOI: 10.7270/Q2BK1CMK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM50332237 ((R)-2-((6-(3-amino-3-methylpiperidin-1-yl)-1,3-dim...) Show SMILES Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3ccccc3C#N)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C22H26N6O2/c1-22(24)9-6-10-27(14-22)18-11-17-19(20(29)26(3)21(30)25(17)2)28(18)13-16-8-5-4-7-15(16)12-23/h4-5,7-8,11H,6,9-10,13-14,24H2,1-3H3/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of DPP9				Bioorg Med Chem Lett 20: 7246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.101 BindingDB Entry DOI: 10.7270/Q2BK1CMK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM50332236 ((R)-6-(3-amino-3-methylpiperidin-1-yl)-5-benzyl-3-...) Show SMILES Cn1c(=O)[nH]c2cc(N3CCC[C@@](C)(N)C3)n(Cc3ccccc3)c2c1=O |r| Show InChI InChI=1S/C20H25N5O2/c1-20(21)9-6-10-24(13-20)16-11-15-17(18(26)23(2)19(27)22-15)25(16)12-14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10,12-13,21H2,1-2H3,(H,22,27)/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of DPP9				Bioorg Med Chem Lett 20: 7246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.101 BindingDB Entry DOI: 10.7270/Q2BK1CMK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 8 (Homo sapiens (Human))	BDBM50332230 ((R)-2-((6-(3-amino-3-methylpiperidin-1-yl)-3-methy...) Show SMILES Cn1cnc2cc(N3CCC[C@@](C)(N)C3)n(Cc3ccccc3C#N)c2c1=O |r| Show InChI InChI=1S/C21H24N6O/c1-21(23)8-5-9-26(13-21)18-10-17-19(20(28)25(2)14-24-17)27(18)12-16-7-4-3-6-15(16)11-22/h3-4,6-7,10,14H,5,8-9,12-13,23H2,1-2H3/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of DPP8				Bioorg Med Chem Lett 20: 7246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.101 BindingDB Entry DOI: 10.7270/Q2BK1CMK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 8 (Homo sapiens (Human))	BDBM50332229 ((R)-6-(3-amino-3-methylpiperidin-1-yl)-5-(5-fluoro...) Show SMILES Cc1ccc(F)cc1Cn1c(cc2ncn(C)c(=O)c12)N1CCC[C@@](C)(N)C1 |r| Show InChI InChI=1S/C21H26FN5O/c1-14-5-6-16(22)9-15(14)11-27-18(26-8-4-7-21(2,23)12-26)10-17-19(27)20(28)25(3)13-24-17/h5-6,9-10,13H,4,7-8,11-12,23H2,1-3H3/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of DPP8				Bioorg Med Chem Lett 20: 7246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.101 BindingDB Entry DOI: 10.7270/Q2BK1CMK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 8 (Homo sapiens (Human))	BDBM50332240 ((R)-2-((6-(3-amino-3-methylpiperidin-1-yl)-3-methy...) Show SMILES Cn1cnc2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c1=O |r| Show InChI InChI=1S/C21H23FN6O/c1-21(24)6-3-7-27(12-21)18-9-17-19(20(29)26(2)13-25-17)28(18)11-15-8-16(22)5-4-14(15)10-23/h4-5,8-9,13H,3,6-7,11-12,24H2,1-2H3/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of DPP8				Bioorg Med Chem Lett 20: 7246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.101 BindingDB Entry DOI: 10.7270/Q2BK1CMK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 8 (Homo sapiens (Human))	BDBM50332239 ((R)-6-(3-amino-3-methylpiperidin-1-yl)-5-(2-chloro...) Show SMILES Cn1cnc2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3Cl)c2c1=O |r| Show InChI InChI=1S/C20H23ClFN5O/c1-20(23)6-3-7-26(11-20)17-9-16-18(19(28)25(2)12-24-16)27(17)10-13-8-14(22)4-5-15(13)21/h4-5,8-9,12H,3,6-7,10-11,23H2,1-2H3/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of DPP8				Bioorg Med Chem Lett 20: 7246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.101 BindingDB Entry DOI: 10.7270/Q2BK1CMK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 8 (Homo sapiens (Human))	BDBM50332238 ((R)-6-(3-amino-3-methylpiperidin-1-yl)-5-(2-chloro...) Show SMILES CCOCCCn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3Cl)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C25H33ClFN5O3/c1-4-35-12-6-11-31-20-14-21(30-10-5-9-25(2,28)16-30)32(22(20)23(33)29(3)24(31)34)15-17-13-18(27)7-8-19(17)26/h7-8,13-14H,4-6,9-12,15-16,28H2,1-3H3/t25-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of DPP8				Bioorg Med Chem Lett 20: 7246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.101 BindingDB Entry DOI: 10.7270/Q2BK1CMK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 8 (Homo sapiens (Human))	BDBM50332235 ((R)-6-(3-amino-3-methylpiperidin-1-yl)-5-(2-chloro...) Show SMILES Cn1c(=O)n(CCCO)c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3Cl)c2c1=O |r| Show InChI InChI=1S/C23H29ClFN5O3/c1-23(26)7-3-8-28(14-23)19-12-18-20(21(32)27(2)22(33)29(18)9-4-10-31)30(19)13-15-11-16(25)5-6-17(15)24/h5-6,11-12,31H,3-4,7-10,13-14,26H2,1-2H3/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of DPP8				Bioorg Med Chem Lett 20: 7246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.101 BindingDB Entry DOI: 10.7270/Q2BK1CMK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 8 (Homo sapiens (Human))	BDBM50332234 ((R)-2-(6-(3-amino-3-methylpiperidin-1-yl)-5-(2-chl...) Show SMILES CN(C)C(=O)Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3Cl)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C24H30ClFN6O3/c1-24(27)8-5-9-30(14-24)19-11-18-21(32(19)12-15-10-16(26)6-7-17(15)25)22(34)29(4)23(35)31(18)13-20(33)28(2)3/h6-7,10-11H,5,8-9,12-14,27H2,1-4H3/t24-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of DPP8				Bioorg Med Chem Lett 20: 7246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.101 BindingDB Entry DOI: 10.7270/Q2BK1CMK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 8 (Homo sapiens (Human))	BDBM50332233 ((R)-2-((6-(3-amino-3-methylpiperidin-1-yl)-1-ethyl...) Show SMILES CCn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C23H27FN6O2/c1-4-29-18-11-19(28-9-5-8-23(2,26)14-28)30(20(18)21(31)27(3)22(29)32)13-16-10-17(24)7-6-15(16)12-25/h6-7,10-11H,4-5,8-9,13-14,26H2,1-3H3/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of DPP8				Bioorg Med Chem Lett 20: 7246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.101 BindingDB Entry DOI: 10.7270/Q2BK1CMK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 8 (Homo sapiens (Human))	BDBM50332232 ((R)-6-(3-amino-3-methylpiperidin-1-yl)-5-(5-fluoro...) Show SMILES Cc1ccc(F)cc1Cn1c(cc2n(C)c(=O)n(C)c(=O)c12)N1CCC[C@@](C)(N)C1 |r| Show InChI InChI=1S/C22H28FN5O2/c1-14-6-7-16(23)10-15(14)12-28-18(27-9-5-8-22(2,24)13-27)11-17-19(28)20(29)26(4)21(30)25(17)3/h6-7,10-11H,5,8-9,12-13,24H2,1-4H3/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of DPP8				Bioorg Med Chem Lett 20: 7246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.101 BindingDB Entry DOI: 10.7270/Q2BK1CMK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 8 (Homo sapiens (Human))	BDBM50332231 ((R)-6-(3-amino-3-methylpiperidin-1-yl)-5-(2-chloro...) Show SMILES Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3Cl)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C21H25ClFN5O2/c1-21(24)7-4-8-27(12-21)17-10-16-18(19(29)26(3)20(30)25(16)2)28(17)11-13-9-14(23)5-6-15(13)22/h5-6,9-10H,4,7-8,11-12,24H2,1-3H3/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of DPP8				Bioorg Med Chem Lett 20: 7246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.101 BindingDB Entry DOI: 10.7270/Q2BK1CMK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 8 (Homo sapiens (Human))	BDBM50332237 ((R)-2-((6-(3-amino-3-methylpiperidin-1-yl)-1,3-dim...) Show SMILES Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3ccccc3C#N)c2c(=O)n(C)c1=O |r| Show InChI InChI=1S/C22H26N6O2/c1-22(24)9-6-10-27(14-22)18-11-17-19(20(29)26(3)21(30)25(17)2)28(18)13-16-8-5-4-7-15(16)12-23/h4-5,7-8,11H,6,9-10,13-14,24H2,1-3H3/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of DPP8				Bioorg Med Chem Lett 20: 7246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.101 BindingDB Entry DOI: 10.7270/Q2BK1CMK
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 8 (Homo sapiens (Human))	BDBM50332236 ((R)-6-(3-amino-3-methylpiperidin-1-yl)-5-benzyl-3-...) Show SMILES Cn1c(=O)[nH]c2cc(N3CCC[C@@](C)(N)C3)n(Cc3ccccc3)c2c1=O |r| Show InChI InChI=1S/C20H25N5O2/c1-20(21)9-6-10-24(13-20)16-11-15-17(18(26)23(2)19(27)22-15)25(16)12-14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10,12-13,21H2,1-2H3,(H,22,27)/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co., Ltd Curated by ChEMBL					Assay Description Inhibition of DPP8				Bioorg Med Chem Lett 20: 7246-9 (2010) Article DOI: 10.1016/j.bmcl.2010.10.101 BindingDB Entry DOI: 10.7270/Q2BK1CMK
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 110 total )  |  Next  |  Last  >>

Jump to: