Compile Data Set for Download or QSAR

Found 126 hits with Last Name = 'moritoh' 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
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50336806 (1-(3-(aminomethyl)-2-isobutyl-4-p-tolylquinolin-6-...) Show SMILES CC(C)Cc1nc2ccc(cc2c(-c2ccc(C)cc2)c1CN)N1CC(=O)NCC1=O Show InChI InChI=1S/C25H28N4O2/c1-15(2)10-22-20(12-26)25(17-6-4-16(3)5-7-17)19-11-18(8-9-21(19)28-22)29-14-23(30)27-13-24(29)31/h4-9,11,15H,10,12-14,26H2,1-3H3,(H,27,30)	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
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of DPP4 in human Caco2 cells after 60 mins				J Med Chem 54: 831-50 (2012) Article DOI: 10.1021/jm101236h BindingDB Entry DOI: 10.7270/Q2QR4Z4M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50333175 (CHEMBL1644848 | Methyl 1-{[5-(aminomethyl)-2-methy...) Show SMILES COC(=O)[C@@H]1CCCN1C(=O)Cc1c(C)nc(CC(C)C)c(CN)c1-c1ccc(C)cc1 |r| Show InChI InChI=1S/C26H35N3O3/c1-16(2)13-22-21(15-27)25(19-10-8-17(3)9-11-19)20(18(4)28-22)14-24(30)29-12-6-7-23(29)26(31)32-5/h8-11,16,23H,6-7,12-15,27H2,1-5H3/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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of DDP4 in human Caco2 cells after 60 mins by spectrophotometry				Bioorg Med Chem 19: 172-85 (2011) Article DOI: 10.1016/j.bmc.2010.11.038 BindingDB Entry DOI: 10.7270/Q2TB174K
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50333177 (1-{[5-(Aminomethyl)-2-methyl-4-(4-methylphenyl)-6-...) Show SMILES CC(C)Cc1nc(C)c(CC(=O)N2CCC[C@H]2C(N)=O)c(-c2ccc(C)cc2)c1CN |r| Show InChI InChI=1S/C25H34N4O2/c1-15(2)12-21-20(14-26)24(18-9-7-16(3)8-10-18)19(17(4)28-21)13-23(30)29-11-5-6-22(29)25(27)31/h7-10,15,22H,5-6,11-14,26H2,1-4H3,(H2,27,31)/t22-/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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of DDP4 in human Caco2 cells after 60 mins by spectrophotometry				Bioorg Med Chem 19: 172-85 (2011) Article DOI: 10.1016/j.bmc.2010.11.038 BindingDB Entry DOI: 10.7270/Q2TB174K
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50336806 (1-(3-(aminomethyl)-2-isobutyl-4-p-tolylquinolin-6-...) Show SMILES CC(C)Cc1nc2ccc(cc2c(-c2ccc(C)cc2)c1CN)N1CC(=O)NCC1=O Show InChI InChI=1S/C25H28N4O2/c1-15(2)10-22-20(12-26)25(17-6-4-16(3)5-7-17)19-11-18(8-9-21(19)28-22)29-14-23(30)27-13-24(29)31/h4-9,11,15H,10,12-14,26H2,1-3H3,(H,27,30)	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	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human Dipeptidyl peptidase-4 expressed in Caco-2 cells using Gly-Pro-pNA.Tos as substrate after 60 mins by microplate reader analysis				Bioorg Med Chem 19: 4482-98 (2011) Article DOI: 10.1016/j.bmc.2011.06.032 BindingDB Entry DOI: 10.7270/Q2P26ZGN
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50333167 (3-({[5-(Aminomethyl)-2-methyl-4-(4-methylphenyl)-6...) Show SMILES CC(C)Cc1nc(C)c(CC(=O)Nc2cccc(c2)C(C)=O)c(-c2ccc(C)cc2)c1CN Show InChI InChI=1S/C28H33N3O2/c1-17(2)13-26-25(16-29)28(21-11-9-18(3)10-12-21)24(19(4)30-26)15-27(33)31-23-8-6-7-22(14-23)20(5)32/h6-12,14,17H,13,15-16,29H2,1-5H3,(H,31,33)	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
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of DDP4 in human Caco2 cells after 60 mins by spectrophotometry				Bioorg Med Chem 19: 172-85 (2011) Article DOI: 10.1016/j.bmc.2010.11.038 BindingDB Entry DOI: 10.7270/Q2TB174K
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50349380 (CHEMBL1808468) Show SMILES CC(C)Cc1nc2ccc(\C=C\C(N)=O)cc2c(-c2ccc(C)cc2)c1CN Show InChI InChI=1S/C24H27N3O/c1-15(2)12-22-20(14-25)24(18-8-4-16(3)5-9-18)19-13-17(7-11-23(26)28)6-10-21(19)27-22/h4-11,13,15H,12,14,25H2,1-3H3,(H2,26,28)/b11-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human Dipeptidyl peptidase-4 expressed in Caco-2 cells using Gly-Pro-pNA.Tos as substrate after 60 mins by microplate reader analysis				Bioorg Med Chem 19: 4482-98 (2011) Article DOI: 10.1016/j.bmc.2011.06.032 BindingDB Entry DOI: 10.7270/Q2P26ZGN
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50349384 (CHEMBL1808473) Show SMILES CC(C)Cc1nc2ccc(cc2c(-c2ccc(C)cc2)c1CN)N1CCNC(=O)C1 Show InChI InChI=1S/C25H30N4O/c1-16(2)12-23-21(14-26)25(18-6-4-17(3)5-7-18)20-13-19(8-9-22(20)28-23)29-11-10-27-24(30)15-29/h4-9,13,16H,10-12,14-15,26H2,1-3H3,(H,27,30)	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	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human Dipeptidyl peptidase-4 expressed in Caco-2 cells using Gly-Pro-pNA.Tos as substrate after 60 mins by microplate reader analysis				Bioorg Med Chem 19: 4482-98 (2011) Article DOI: 10.1016/j.bmc.2011.06.032 BindingDB Entry DOI: 10.7270/Q2P26ZGN
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50336818 (5-(Aminomethyl)-2-benzyl-6-(2,2-dimethylpropyl)-4-...) Show SMILES Cc1ccc(cc1)-c1c(CN)c(CC(C)(C)C)nc(Cc2ccccc2)c1C(O)=O Show InChI InChI=1S/C26H30N2O2/c1-17-10-12-19(13-11-17)23-20(16-27)22(15-26(2,3)4)28-21(24(23)25(29)30)14-18-8-6-5-7-9-18/h5-13H,14-16,27H2,1-4H3,(H,29,30)	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	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of DPP4 in human Caco2 cells after 60 mins				J Med Chem 54: 831-50 (2012) Article DOI: 10.1021/jm101236h BindingDB Entry DOI: 10.7270/Q2QR4Z4M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50349385 (CHEMBL1808474) Show SMILES CC(C)Cc1nc2ccc(cc2c(-c2ccc(C)cc2)c1CN)N1CCNC(=O)C1=O Show InChI InChI=1S/C25H28N4O2/c1-15(2)12-22-20(14-26)23(17-6-4-16(3)5-7-17)19-13-18(8-9-21(19)28-22)29-11-10-27-24(30)25(29)31/h4-9,13,15H,10-12,14,26H2,1-3H3,(H,27,30)	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	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human Dipeptidyl peptidase-4 expressed in Caco-2 cells using Gly-Pro-pNA.Tos as substrate after 60 mins by microplate reader analysis				Bioorg Med Chem 19: 4482-98 (2011) Article DOI: 10.1016/j.bmc.2011.06.032 BindingDB Entry DOI: 10.7270/Q2P26ZGN
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50333171 (2-[5-(Aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(...) Show SMILES CC(C)Cc1nc(C)c(CC(=O)Nc2cccc(c2)S(C)=O)c(-c2ccc(C)cc2)c1CN Show InChI InChI=1S/C27H33N3O2S/c1-17(2)13-25-24(16-28)27(20-11-9-18(3)10-12-20)23(19(4)29-25)15-26(31)30-21-7-6-8-22(14-21)33(5)32/h6-12,14,17H,13,15-16,28H2,1-5H3,(H,30,31)	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	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of DDP4 in human Caco2 cells after 60 mins by spectrophotometry				Bioorg Med Chem 19: 172-85 (2011) Article DOI: 10.1016/j.bmc.2010.11.038 BindingDB Entry DOI: 10.7270/Q2TB174K
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50333176 (1-{[5-(Aminomethyl)-2-methyl-4-(4-methylphenyl)-6-...) Show SMILES CC(C)Cc1nc(C)c(CC(=O)N2CCC[C@H]2C(O)=O)c(-c2ccc(C)cc2)c1CN |r| Show InChI InChI=1S/C25H33N3O3/c1-15(2)12-21-20(14-26)24(18-9-7-16(3)8-10-18)19(17(4)27-21)13-23(29)28-11-5-6-22(28)25(30)31/h7-10,15,22H,5-6,11-14,26H2,1-4H3,(H,30,31)/t22-/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	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of DDP4 in human Caco2 cells after 60 mins by spectrophotometry				Bioorg Med Chem 19: 172-85 (2011) Article DOI: 10.1016/j.bmc.2010.11.038 BindingDB Entry DOI: 10.7270/Q2TB174K
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50333164 (CHEMBL1644837 | Methyl3-({[5-(aminomethyl)-2-methy...) Show SMILES COC(=O)c1cccc(NC(=O)Cc2c(C)nc(CC(C)C)c(CN)c2-c2ccc(C)cc2)c1 Show InChI InChI=1S/C28H33N3O3/c1-17(2)13-25-24(16-29)27(20-11-9-18(3)10-12-20)23(19(4)30-25)15-26(32)31-22-8-6-7-21(14-22)28(33)34-5/h6-12,14,17H,13,15-16,29H2,1-5H3,(H,31,32)	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	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of DDP4 in human Caco2 cells after 60 mins by spectrophotometry				Bioorg Med Chem 19: 172-85 (2011) Article DOI: 10.1016/j.bmc.2010.11.038 BindingDB Entry DOI: 10.7270/Q2TB174K
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50349376 (CHEMBL1808464) Show SMILES CC(C)Cc1nc2ccc(OCC(N)=O)cc2c(-c2ccc(C)cc2)c1CN Show InChI InChI=1S/C23H27N3O2/c1-14(2)10-21-19(12-24)23(16-6-4-15(3)5-7-16)18-11-17(28-13-22(25)27)8-9-20(18)26-21/h4-9,11,14H,10,12-13,24H2,1-3H3,(H2,25,27)	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	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human Dipeptidyl peptidase-4 expressed in Caco-2 cells using Gly-Pro-pNA.Tos as substrate after 60 mins by microplate reader analysis				Bioorg Med Chem 19: 4482-98 (2011) Article DOI: 10.1016/j.bmc.2011.06.032 BindingDB Entry DOI: 10.7270/Q2P26ZGN
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50336815 (5-(Aminomethyl)-6-(2,2-dimethylpropyl)-4-(4-methyl...) Show SMILES CCCc1nc(CC(C)(C)C)c(CN)c(-c2ccc(C)cc2)c1C(O)=O Show InChI InChI=1S/C22H30N2O2/c1-6-7-17-20(21(25)26)19(15-10-8-14(2)9-11-15)16(13-23)18(24-17)12-22(3,4)5/h8-11H,6-7,12-13,23H2,1-5H3,(H,25,26)	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	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of DPP4 in human Caco2 cells after 60 mins				J Med Chem 54: 831-50 (2012) Article DOI: 10.1021/jm101236h BindingDB Entry DOI: 10.7270/Q2QR4Z4M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50336817 (5-(Aminomethyl)-6-(2,2-dimethylpropyl)-4-(4-methyl...) Show SMILES CC(C)Cc1nc(CC(C)(C)C)c(CN)c(-c2ccc(C)cc2)c1C(O)=O Show InChI InChI=1S/C23H32N2O2/c1-14(2)11-18-21(22(26)27)20(16-9-7-15(3)8-10-16)17(13-24)19(25-18)12-23(4,5)6/h7-10,14H,11-13,24H2,1-6H3,(H,26,27)	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	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of DPP4 in human Caco2 cells after 60 mins				J Med Chem 54: 831-50 (2012) Article DOI: 10.1021/jm101236h BindingDB Entry DOI: 10.7270/Q2QR4Z4M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50336820 (CHEMBL1672127 | [5-(Aminomethyl)-6-(2,2-dimethylpr...) Show SMILES CCc1nc(CC(C)(C)C)c(CN)c(-c2ccc(C)cc2)c1CC(O)=O Show InChI InChI=1S/C22H30N2O2/c1-6-18-16(11-20(25)26)21(15-9-7-14(2)8-10-15)17(13-23)19(24-18)12-22(3,4)5/h7-10H,6,11-13,23H2,1-5H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of DPP4 in human Caco2 cells after 60 mins				J Med Chem 54: 831-50 (2012) Article DOI: 10.1021/jm101236h BindingDB Entry DOI: 10.7270/Q2QR4Z4M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50336814 (5-(Aminomethyl)-6-(2,2-dimethylpropyl)-2-ethyl-4-(...) Show SMILES CCc1nc(CC(C)(C)C)c(CN)c(-c2ccc(C)cc2)c1C(O)=O Show InChI InChI=1S/C21H28N2O2/c1-6-16-19(20(24)25)18(14-9-7-13(2)8-10-14)15(12-22)17(23-16)11-21(3,4)5/h7-10H,6,11-12,22H2,1-5H3,(H,24,25)	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	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of DPP4 in human Caco2 cells after 60 mins				J Med Chem 54: 831-50 (2012) Article DOI: 10.1021/jm101236h BindingDB Entry DOI: 10.7270/Q2QR4Z4M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50336805 (6-[3-(Aminomethyl)-4-(4-methylphenyl)-2-(2-methylp...) Show SMILES CC(C)Cc1nc2ccc(CCCCCC(O)=O)cc2c(-c2ccc(C)cc2)c1CN Show InChI InChI=1S/C27H34N2O2/c1-18(2)15-25-23(17-28)27(21-12-9-19(3)10-13-21)22-16-20(11-14-24(22)29-25)7-5-4-6-8-26(30)31/h9-14,16,18H,4-8,15,17,28H2,1-3H3,(H,30,31)	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	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of DPP4 in human Caco2 cells after 60 mins				J Med Chem 54: 831-50 (2012) Article DOI: 10.1021/jm101236h BindingDB Entry DOI: 10.7270/Q2QR4Z4M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50349379 (CHEMBL1808467) Show SMILES CC(C)Cc1nc2ccc(CCC(N)=O)cc2c(-c2ccc(C)cc2)c1CN Show InChI InChI=1S/C24H29N3O/c1-15(2)12-22-20(14-25)24(18-8-4-16(3)5-9-18)19-13-17(7-11-23(26)28)6-10-21(19)27-22/h4-6,8-10,13,15H,7,11-12,14,25H2,1-3H3,(H2,26,28)	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	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human Dipeptidyl peptidase-4 expressed in Caco-2 cells using Gly-Pro-pNA.Tos as substrate after 60 mins by microplate reader analysis				Bioorg Med Chem 19: 4482-98 (2011) Article DOI: 10.1016/j.bmc.2011.06.032 BindingDB Entry DOI: 10.7270/Q2P26ZGN
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50333179 (1-{[5-(Aminomethyl)-2-methyl-4-(4-methylphenyl)-6-...) Show SMILES CC(C)Cc1nc(C)c(CC(=O)N2CCC[C@@H]2C(O)=O)c(-c2ccc(C)cc2)c1CN |r| Show InChI InChI=1S/C25H33N3O3/c1-15(2)12-21-20(14-26)24(18-9-7-16(3)8-10-18)19(17(4)27-21)13-23(29)28-11-5-6-22(28)25(30)31/h7-10,15,22H,5-6,11-14,26H2,1-4H3,(H,30,31)/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	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of DDP4 in human Caco2 cells after 60 mins by spectrophotometry				Bioorg Med Chem 19: 172-85 (2011) Article DOI: 10.1016/j.bmc.2010.11.038 BindingDB Entry DOI: 10.7270/Q2TB174K
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50333166 (CHEMBL1644839 | N-(3-Acetylphenyl)-2-[5-(aminometh...) Show SMILES CC(C)Cc1nc(C)c(CC(=O)Nc2cccc(c2)C(N)=O)c(-c2ccc(C)cc2)c1CN Show InChI InChI=1S/C27H32N4O2/c1-16(2)12-24-23(15-28)26(19-10-8-17(3)9-11-19)22(18(4)30-24)14-25(32)31-21-7-5-6-20(13-21)27(29)33/h5-11,13,16H,12,14-15,28H2,1-4H3,(H2,29,33)(H,31,32)	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	8.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of DDP4 in human Caco2 cells after 60 mins by spectrophotometry				Bioorg Med Chem 19: 172-85 (2011) Article DOI: 10.1016/j.bmc.2010.11.038 BindingDB Entry DOI: 10.7270/Q2TB174K
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50333172 (2-[5-(Aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(...) Show SMILES CC(C)Cc1nc(C)c(CC(=O)Nc2cccc(c2)S(C)(=O)=O)c(-c2ccc(C)cc2)c1CN Show InChI InChI=1S/C27H33N3O3S/c1-17(2)13-25-24(16-28)27(20-11-9-18(3)10-12-20)23(19(4)29-25)15-26(31)30-21-7-6-8-22(14-21)34(5,32)33/h6-12,14,17H,13,15-16,28H2,1-5H3,(H,30,31)	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	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of DDP4 in human Caco2 cells after 60 mins by spectrophotometry				Bioorg Med Chem 19: 172-85 (2011) Article DOI: 10.1016/j.bmc.2010.11.038 BindingDB Entry DOI: 10.7270/Q2TB174K
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50336803 (4-[3-(Aminomethyl)-4-(4-methylphenyl)-2-(2-methylp...) Show SMILES CC(C)Cc1nc2ccc(CCCC(O)=O)cc2c(-c2ccc(C)cc2)c1CN Show InChI InChI=1S/C25H30N2O2/c1-16(2)13-23-21(15-26)25(19-10-7-17(3)8-11-19)20-14-18(5-4-6-24(28)29)9-12-22(20)27-23/h7-12,14,16H,4-6,13,15,26H2,1-3H3,(H,28,29)	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	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of DPP4 in human Caco2 cells after 60 mins				J Med Chem 54: 831-50 (2012) Article DOI: 10.1021/jm101236h BindingDB Entry DOI: 10.7270/Q2QR4Z4M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50349388 (CHEMBL1808471) Show SMILES CC(C)Cc1nc2ccc(cc2c(-c2ccc(C)cc2)c1CN)-c1nnn[nH]1 Show InChI InChI=1S/C22H24N6/c1-13(2)10-20-18(12-23)21(15-6-4-14(3)5-7-15)17-11-16(8-9-19(17)24-20)22-25-27-28-26-22/h4-9,11,13H,10,12,23H2,1-3H3,(H,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human Dipeptidyl peptidase-4 expressed in Caco-2 cells using Gly-Pro-pNA.Tos as substrate after 60 mins by microplate reader analysis				Bioorg Med Chem 19: 4482-98 (2011) Article DOI: 10.1016/j.bmc.2011.06.032 BindingDB Entry DOI: 10.7270/Q2P26ZGN
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50336804 (5-[3-(Aminomethyl)-4-(4-methylphenyl)-2-(2-methylp...) Show SMILES CC(C)Cc1nc2ccc(CCCCC(O)=O)cc2c(-c2ccc(C)cc2)c1CN Show InChI InChI=1S/C26H32N2O2/c1-17(2)14-24-22(16-27)26(20-11-8-18(3)9-12-20)21-15-19(10-13-23(21)28-24)6-4-5-7-25(29)30/h8-13,15,17H,4-7,14,16,27H2,1-3H3,(H,29,30)	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	9.60	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of DPP4 in human Caco2 cells after 60 mins				J Med Chem 54: 831-50 (2012) Article DOI: 10.1021/jm101236h BindingDB Entry DOI: 10.7270/Q2QR4Z4M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50336819 (CHEMBL1672126 | [5-(Aminomethyl)-6-(2,2-dimethylpr...) Show SMILES Cc1ccc(cc1)-c1c(CN)c(CC(C)(C)C)nc(C)c1CC(O)=O Show InChI InChI=1S/C21H28N2O2/c1-13-6-8-15(9-7-13)20-16(10-19(24)25)14(2)23-18(17(20)12-22)11-21(3,4)5/h6-9H,10-12,22H2,1-5H3,(H,24,25)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of DPP4 in human Caco2 cells after 60 mins				J Med Chem 54: 831-50 (2012) Article DOI: 10.1021/jm101236h BindingDB Entry DOI: 10.7270/Q2QR4Z4M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50333173 (CHEMBL1644846 | Methyl 1-{[5-(aminomethyl)-2-methy...) Show SMILES COC(=O)C1CCN(C1)C(=O)Cc1c(C)nc(CC(C)C)c(CN)c1-c1ccc(C)cc1 Show InChI InChI=1S/C26H35N3O3/c1-16(2)12-23-22(14-27)25(19-8-6-17(3)7-9-19)21(18(4)28-23)13-24(30)29-11-10-20(15-29)26(31)32-5/h6-9,16,20H,10-15,27H2,1-5H3	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	11	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of DDP4 in human Caco2 cells after 60 mins by spectrophotometry				Bioorg Med Chem 19: 172-85 (2011) Article DOI: 10.1016/j.bmc.2010.11.038 BindingDB Entry DOI: 10.7270/Q2TB174K
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50349383 (CHEMBL1808472) Show SMILES CC(C)Cc1nc2ccc(cc2c(-c2ccc(C)cc2)c1CN)-c1nc(=O)o[nH]1 Show InChI InChI=1S/C23H24N4O2/c1-13(2)10-20-18(12-24)21(15-6-4-14(3)5-7-15)17-11-16(8-9-19(17)25-20)22-26-23(28)29-27-22/h4-9,11,13H,10,12,24H2,1-3H3,(H,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human Dipeptidyl peptidase-4 expressed in Caco-2 cells using Gly-Pro-pNA.Tos as substrate after 60 mins by microplate reader analysis				Bioorg Med Chem 19: 4482-98 (2011) Article DOI: 10.1016/j.bmc.2011.06.032 BindingDB Entry DOI: 10.7270/Q2P26ZGN
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50333180 (1-{[5-(Aminomethyl)-2-methyl-4-(4-methylphenyl)-6-...) Show SMILES CC(C)Cc1nc(C)c(CC(=O)N2CCC[C@@H]2C(N)=O)c(-c2ccc(C)cc2)c1CN |r| Show InChI InChI=1S/C25H34N4O2/c1-15(2)12-21-20(14-26)24(18-9-7-16(3)8-10-18)19(17(4)28-21)13-23(30)29-11-5-6-22(29)25(27)31/h7-10,15,22H,5-6,11-14,26H2,1-4H3,(H2,27,31)/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	12	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of DDP4 in human Caco2 cells after 60 mins by spectrophotometry				Bioorg Med Chem 19: 172-85 (2011) Article DOI: 10.1016/j.bmc.2010.11.038 BindingDB Entry DOI: 10.7270/Q2TB174K
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50333182 (CHEMBL1644855 | Methyl N-{[5-(aminomethyl)-2-methy...) Show SMILES COC(=O)CNC(=O)Cc1c(C)nc(CC(C)C)c(CN)c1-c1ccc(C)cc1 Show InChI InChI=1S/C23H31N3O3/c1-14(2)10-20-19(12-24)23(17-8-6-15(3)7-9-17)18(16(4)26-20)11-21(27)25-13-22(28)29-5/h6-9,14H,10-13,24H2,1-5H3,(H,25,27)	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	17	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of DDP4 in human Caco2 cells after 60 mins by spectrophotometry				Bioorg Med Chem 19: 172-85 (2011) Article DOI: 10.1016/j.bmc.2010.11.038 BindingDB Entry DOI: 10.7270/Q2TB174K
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50333184 (5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-m...) Show SMILES CC(C)Cc1nc(C)c(C(O)=O)c(-c2ccc(C)cc2)c1CN Show InChI InChI=1S/C19H24N2O2/c1-11(2)9-16-15(10-20)18(14-7-5-12(3)6-8-14)17(19(22)23)13(4)21-16/h5-8,11H,9-10,20H2,1-4H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of DDP4 in human Caco2 cells after 60 mins by spectrophotometry				Bioorg Med Chem 19: 172-85 (2011) Article DOI: 10.1016/j.bmc.2010.11.038 BindingDB Entry DOI: 10.7270/Q2TB174K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50336813 (5-(Aminomethyl)-6-(2,2-dimethylpropyl)-2-methyl-4-...) Show SMILES Cc1ccc(cc1)-c1c(CN)c(CC(C)(C)C)nc(C)c1C(O)=O Show InChI InChI=1S/C20H26N2O2/c1-12-6-8-14(9-7-12)18-15(11-21)16(10-20(3,4)5)22-13(2)17(18)19(23)24/h6-9H,10-11,21H2,1-5H3,(H,23,24)	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	18	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of DPP4 in human Caco2 cells after 60 mins				J Med Chem 54: 831-50 (2012) Article DOI: 10.1021/jm101236h BindingDB Entry DOI: 10.7270/Q2QR4Z4M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50333184 (5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-m...) Show SMILES CC(C)Cc1nc(C)c(C(O)=O)c(-c2ccc(C)cc2)c1CN Show InChI InChI=1S/C19H24N2O2/c1-11(2)9-16-15(10-20)18(14-7-5-12(3)6-8-14)17(19(22)23)13(4)21-16/h5-8,11H,9-10,20H2,1-4H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of DPP4 in human Caco2 cells after 60 mins				J Med Chem 54: 831-50 (2012) Article DOI: 10.1021/jm101236h BindingDB Entry DOI: 10.7270/Q2QR4Z4M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50333165 (3-({[5-(Aminomethyl)-2-methyl-4-(4-methylphenyl)-6...) Show SMILES CC(C)Cc1nc(C)c(CC(=O)Nc2cccc(c2)C(O)=O)c(-c2ccc(C)cc2)c1CN Show InChI InChI=1S/C27H31N3O3/c1-16(2)12-24-23(15-28)26(19-10-8-17(3)9-11-19)22(18(4)29-24)14-25(31)30-21-7-5-6-20(13-21)27(32)33/h5-11,13,16H,12,14-15,28H2,1-4H3,(H,30,31)(H,32,33)	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	19	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of DDP4 in human Caco2 cells after 60 mins by spectrophotometry				Bioorg Med Chem 19: 172-85 (2011) Article DOI: 10.1016/j.bmc.2010.11.038 BindingDB Entry DOI: 10.7270/Q2TB174K
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50336816 (5-(Aminomethyl)-6-(2,2-dimethylpropyl)-2-(1-methyl...) Show SMILES CC(C)c1nc(CC(C)(C)C)c(CN)c(-c2ccc(C)cc2)c1C(O)=O Show InChI InChI=1S/C22H30N2O2/c1-13(2)20-19(21(25)26)18(15-9-7-14(3)8-10-15)16(12-23)17(24-20)11-22(4,5)6/h7-10,13H,11-12,23H2,1-6H3,(H,25,26)	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	19	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of DPP4 in human Caco2 cells after 60 mins				J Med Chem 54: 831-50 (2012) Article DOI: 10.1021/jm101236h BindingDB Entry DOI: 10.7270/Q2QR4Z4M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50333168 (CHEMBL1644841 | Methyl2-({[5-(aminomethyl)-2-methy...) Show SMILES COC(=O)c1ccccc1NC(=O)Cc1c(C)nc(CC(C)C)c(CN)c1-c1ccc(C)cc1 Show InChI InChI=1S/C28H33N3O3/c1-17(2)14-25-23(16-29)27(20-12-10-18(3)11-13-20)22(19(4)30-25)15-26(32)31-24-9-7-6-8-21(24)28(33)34-5/h6-13,17H,14-16,29H2,1-5H3,(H,31,32)	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	19	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of DDP4 in human Caco2 cells after 60 mins by spectrophotometry				Bioorg Med Chem 19: 172-85 (2011) Article DOI: 10.1016/j.bmc.2010.11.038 BindingDB Entry DOI: 10.7270/Q2TB174K
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50336808 (CHEMBL1672115 | [5-(Aminomethyl)-2-methyl-4-(4-met...) Show SMILES CC(C)Cc1nc(C)c(CC(O)=O)c(-c2ccc(C)cc2)c1CN Show InChI InChI=1S/C20H26N2O2/c1-12(2)9-18-17(11-21)20(15-7-5-13(3)6-8-15)16(10-19(23)24)14(4)22-18/h5-8,12H,9-11,21H2,1-4H3,(H,23,24)	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	20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of DPP4 in human Caco2 cells after 60 mins				J Med Chem 54: 831-50 (2012) Article DOI: 10.1021/jm101236h BindingDB Entry DOI: 10.7270/Q2QR4Z4M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50333178 (CHEMBL1644851 | Methyl 1-{[5-(aminomethyl)-2-methy...) Show SMILES COC(=O)[C@H]1CCCN1C(=O)Cc1c(C)nc(CC(C)C)c(CN)c1-c1ccc(C)cc1 |r| Show InChI InChI=1S/C26H35N3O3/c1-16(2)13-22-21(15-27)25(19-10-8-17(3)9-11-19)20(18(4)28-22)14-24(30)29-12-6-7-23(29)26(31)32-5/h8-11,16,23H,6-7,12-15,27H2,1-5H3/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
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of DDP4 in human Caco2 cells after 60 mins by spectrophotometry				Bioorg Med Chem 19: 172-85 (2011) Article DOI: 10.1016/j.bmc.2010.11.038 BindingDB Entry DOI: 10.7270/Q2TB174K
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50336802 (3-[3-(Aminomethyl)-4-(4-methylphenyl)-2-(2-methylp...) Show SMILES CC(C)Cc1nc2ccc(CCC(O)=O)cc2c(-c2ccc(C)cc2)c1CN Show InChI InChI=1S/C24H28N2O2/c1-15(2)12-22-20(14-25)24(18-8-4-16(3)5-9-18)19-13-17(7-11-23(27)28)6-10-21(19)26-22/h4-6,8-10,13,15H,7,11-12,14,25H2,1-3H3,(H,27,28)	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
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of DPP4 in human Caco2 cells after 60 mins				J Med Chem 54: 831-50 (2012) Article DOI: 10.1021/jm101236h BindingDB Entry DOI: 10.7270/Q2QR4Z4M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50333169 (CHEMBL1644842 | Methyl 4-({[5-(aminomethyl)-2-meth...) Show SMILES COC(=O)c1cscc1NC(=O)Cc1c(C)nc(CC(C)C)c(CN)c1-c1ccc(C)cc1 Show InChI InChI=1S/C26H31N3O3S/c1-15(2)10-22-20(12-27)25(18-8-6-16(3)7-9-18)19(17(4)28-22)11-24(30)29-23-14-33-13-21(23)26(31)32-5/h6-9,13-15H,10-12,27H2,1-5H3,(H,29,30)	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
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of DDP4 in human Caco2 cells after 60 mins by spectrophotometry				Bioorg Med Chem 19: 172-85 (2011) Article DOI: 10.1016/j.bmc.2010.11.038 BindingDB Entry DOI: 10.7270/Q2TB174K
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50349375 (CHEMBL1808463) Show SMILES CC(C)Cc1nc2ccc(OCC(N)=O)cc2c(-c2ccc(F)cc2)c1CN Show InChI InChI=1S/C22H24FN3O2/c1-13(2)9-20-18(11-24)22(14-3-5-15(23)6-4-14)17-10-16(28-12-21(25)27)7-8-19(17)26-20/h3-8,10,13H,9,11-12,24H2,1-2H3,(H2,25,27)	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
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human Dipeptidyl peptidase-4 expressed in Caco-2 cells using Gly-Pro-pNA.Tos as substrate after 60 mins by microplate reader analysis				Bioorg Med Chem 19: 4482-98 (2011) Article DOI: 10.1016/j.bmc.2011.06.032 BindingDB Entry DOI: 10.7270/Q2P26ZGN
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50333170 (4-({[5-(Aminomethyl)-2-methyl-4-(4-methylphenyl)-6...) Show SMILES CC(C)Cc1nc(C)c(CC(=O)Nc2cscc2C(O)=O)c(-c2ccc(C)cc2)c1CN Show InChI InChI=1S/C25H29N3O3S/c1-14(2)9-21-19(11-26)24(17-7-5-15(3)6-8-17)18(16(4)27-21)10-23(29)28-22-13-32-12-20(22)25(30)31/h5-8,12-14H,9-11,26H2,1-4H3,(H,28,29)(H,30,31)	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	30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of DDP4 in human Caco2 cells after 60 mins by spectrophotometry				Bioorg Med Chem 19: 172-85 (2011) Article DOI: 10.1016/j.bmc.2010.11.038 BindingDB Entry DOI: 10.7270/Q2TB174K
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50349373 (CHEMBL1809262) Show SMILES CC(C)Cc1nc2ccc(OCC(N)=O)cc2c(-c2ccccc2)c1CN Show InChI InChI=1S/C22H25N3O2/c1-14(2)10-20-18(12-23)22(15-6-4-3-5-7-15)17-11-16(27-13-21(24)26)8-9-19(17)25-20/h3-9,11,14H,10,12-13,23H2,1-2H3,(H2,24,26)	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	34	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human Dipeptidyl peptidase-4 expressed in Caco-2 cells using Gly-Pro-pNA.Tos as substrate after 60 mins by microplate reader analysis				Bioorg Med Chem 19: 4482-98 (2011) Article DOI: 10.1016/j.bmc.2011.06.032 BindingDB Entry DOI: 10.7270/Q2P26ZGN
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50336809 (3-[5-(Aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(...) Show SMILES CC(C)Cc1nc(C)c(CCC(O)=O)c(-c2ccc(C)cc2)c1CN Show InChI InChI=1S/C21H28N2O2/c1-13(2)11-19-18(12-22)21(16-7-5-14(3)6-8-16)17(15(4)23-19)9-10-20(24)25/h5-8,13H,9-12,22H2,1-4H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of DPP4 in human Caco2 cells after 60 mins				J Med Chem 54: 831-50 (2012) Article DOI: 10.1021/jm101236h BindingDB Entry DOI: 10.7270/Q2QR4Z4M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM123780 (2-{[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4- ph...) Show SMILES CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(OCC(N)=O)ccc2c1=O Show InChI InChI=1S/C22H25N3O3/c1-14(2)12-25-19(11-23)21(15-6-4-3-5-7-15)18-10-16(28-13-20(24)26)8-9-17(18)22(25)27/h3-10,14H,11-13,23H2,1-2H3,(H2,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human Dipeptidyl peptidase-4 expressed in Caco-2 cells using Gly-Pro-pNA.Tos as substrate after 60 mins by microplate reader analysis				Bioorg Med Chem 19: 4482-98 (2011) Article DOI: 10.1016/j.bmc.2011.06.032 BindingDB Entry DOI: 10.7270/Q2P26ZGN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50349387 (CHEMBL1809263) Show SMILES CC(C)Cc1nc2ccc(OCC(N)=O)cc2c(-c2cccc(F)c2)c1CN Show InChI InChI=1S/C22H24FN3O2/c1-13(2)8-20-18(11-24)22(14-4-3-5-15(23)9-14)17-10-16(28-12-21(25)27)6-7-19(17)26-20/h3-7,9-10,13H,8,11-12,24H2,1-2H3,(H2,25,27)	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	49	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human Dipeptidyl peptidase-4 expressed in Caco-2 cells using Gly-Pro-pNA.Tos as substrate after 60 mins by microplate reader analysis				Bioorg Med Chem 19: 4482-98 (2011) Article DOI: 10.1016/j.bmc.2011.06.032 BindingDB Entry DOI: 10.7270/Q2P26ZGN
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50349378 (CHEMBL1808466) Show SMILES CNC(=O)COc1ccc2nc(CC(C)C)c(CN)c(-c3ccc(C)cc3)c2c1 Show InChI InChI=1S/C24H29N3O2/c1-15(2)11-22-20(13-25)24(17-7-5-16(3)6-8-17)19-12-18(9-10-21(19)27-22)29-14-23(28)26-4/h5-10,12,15H,11,13-14,25H2,1-4H3,(H,26,28)	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	52	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human Dipeptidyl peptidase-4 expressed in Caco-2 cells using Gly-Pro-pNA.Tos as substrate after 60 mins by microplate reader analysis				Bioorg Med Chem 19: 4482-98 (2011) Article DOI: 10.1016/j.bmc.2011.06.032 BindingDB Entry DOI: 10.7270/Q2P26ZGN
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50333174 (1-[6-Methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-...) Show SMILES CC(C)Cc1nc(C)c(CC(=O)N2CCC(C2)S(C)(=O)=O)c(-c2ccc(C)cc2)c1CN Show InChI InChI=1S/C25H35N3O3S/c1-16(2)12-23-22(14-26)25(19-8-6-17(3)7-9-19)21(18(4)27-23)13-24(29)28-11-10-20(15-28)32(5,30)31/h6-9,16,20H,10-15,26H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of DDP4 in human Caco2 cells after 60 mins by spectrophotometry				Bioorg Med Chem 19: 172-85 (2011) Article DOI: 10.1016/j.bmc.2010.11.038 BindingDB Entry DOI: 10.7270/Q2TB174K
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50349381 (CHEMBL1808469) Show SMILES CC(C)Cc1nc2ccc(cc2c(-c2ccc(C)cc2)c1CN)C(N)=O Show InChI InChI=1S/C22H25N3O/c1-13(2)10-20-18(12-23)21(15-6-4-14(3)5-7-15)17-11-16(22(24)26)8-9-19(17)25-20/h4-9,11,13H,10,12,23H2,1-3H3,(H2,24,26)	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	55	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human Dipeptidyl peptidase-4 expressed in Caco-2 cells using Gly-Pro-pNA.Tos as substrate after 60 mins by microplate reader analysis				Bioorg Med Chem 19: 4482-98 (2011) Article DOI: 10.1016/j.bmc.2011.06.032 BindingDB Entry DOI: 10.7270/Q2P26ZGN
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50336811 (5-(Aminomethyl)-2-methyl-4-(4-methylphenyl)-6-prop...) Show SMILES CCCc1nc(C)c(C(O)=O)c(-c2ccc(C)cc2)c1CN Show InChI InChI=1S/C18H22N2O2/c1-4-5-15-14(10-19)17(13-8-6-11(2)7-9-13)16(18(21)22)12(3)20-15/h6-9H,4-5,10,19H2,1-3H3,(H,21,22)	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	57	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of DPP4 in human Caco2 cells after 60 mins				J Med Chem 54: 831-50 (2012) Article DOI: 10.1021/jm101236h BindingDB Entry DOI: 10.7270/Q2QR4Z4M
					More data for this Ligand-Target Pair

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