Compile Data Set for Download or QSAR

Found 53 hits Enz. Inhib. hit(s) with all data for entry = 50032626   

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
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))	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))	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))	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))	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
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 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))	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 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))	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 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))	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
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))	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))	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))	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))	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))	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))	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))	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))	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
Cytochrome P450 3A4 (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	1.02E+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 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))	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	1.19E+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 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))	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	1.34E+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 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 2D6 (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 UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.43E+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 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 3A4 (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	2.02E+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 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 1A2 (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	2.63E+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 CYP1A2 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 1A2 (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	2.68E+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 CYP1A2 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))	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 UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+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 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 1A2 (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	>4.00E+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 CYP1A2 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

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