Compile Data Set for Download or QSAR

Found 35 hits Enz. Inhib. hit(s) with all data for entry = 50000571   

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))	BDBM50254020 (CHEMBL4068446) Show SMILES Cl.Cl.CC(C)Cc1nc2ccc(cc2c(-c2ccc(C)cc2)c1CN)-c1nc(cs1)C(O)=O Show InChI InChI=1S/C25H25N3O2S/c1-14(2)10-21-19(12-26)23(16-6-4-15(3)5-7-16)18-11-17(8-9-20(18)27-21)24-28-22(13-31-24)25(29)30/h4-9,11,13-14H,10,12,26H2,1-3H3,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human DPP4 purified from Caco2 cells pre-incubated for 15 mins before Gly-Pro-pNA substrate addition and measured after 60 mins				Bioorg Med Chem Lett 27: 3565-3571 (2017) Article DOI: 10.1016/j.bmcl.2017.05.048 BindingDB Entry DOI: 10.7270/Q2PK0JKX
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50253979 (CHEMBL4068477) Show SMILES Cl.Cl.CC(C)Cc1ncc(-c2nc(cs2)C(N)=O)c(-c2ccc(C)cc2)c1CN Show InChI InChI=1S/C21H24N4OS/c1-12(2)8-17-15(9-22)19(14-6-4-13(3)5-7-14)16(10-24-17)21-25-18(11-27-21)20(23)26/h4-7,10-12H,8-9,22H2,1-3H3,(H2,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human DPP4 purified from Caco2 cells pre-incubated for 15 mins before Gly-Pro-pNA substrate addition and measured after 60 mins				Bioorg Med Chem Lett 27: 3565-3571 (2017) Article DOI: 10.1016/j.bmcl.2017.05.048 BindingDB Entry DOI: 10.7270/Q2PK0JKX
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50254019 (CHEMBL4098218) Show SMILES Cl.Cl.CC(C)Cc1nc(C)c(CCc2nc(cs2)C(O)=O)c(-c2ccc(C)cc2)c1CN Show InChI InChI=1S/C24H29N3O2S/c1-14(2)11-20-19(12-25)23(17-7-5-15(3)6-8-17)18(16(4)26-20)9-10-22-27-21(13-30-22)24(28)29/h5-8,13-14H,9-12,25H2,1-4H3,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human DPP4 purified from Caco2 cells pre-incubated for 15 mins before Gly-Pro-pNA substrate addition and measured after 60 mins				Bioorg Med Chem Lett 27: 3565-3571 (2017) Article DOI: 10.1016/j.bmcl.2017.05.048 BindingDB Entry DOI: 10.7270/Q2PK0JKX
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50254032 (CHEMBL4098936) Show SMILES Cl.Cl.CC(C)Cc1nc2ccc(OCCCCC(O)=O)cc2c(-c2ccc(C)cc2)c1CN Show InChI InChI=1S/C26H32N2O3/c1-17(2)14-24-22(16-27)26(19-9-7-18(3)8-10-19)21-15-20(11-12-23(21)28-24)31-13-5-4-6-25(29)30/h7-12,15,17H,4-6,13-14,16,27H2,1-3H3,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 human DPP4 purified from Caco2 cells pre-incubated for 15 mins before Gly-Pro-pNA substrate addition and measured after 60 mins				Bioorg Med Chem Lett 27: 3565-3571 (2017) Article DOI: 10.1016/j.bmcl.2017.05.048 BindingDB Entry DOI: 10.7270/Q2PK0JKX
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50253914 (CHEMBL4097306) Show SMILES Cl.Cl.CC(C)Cc1nc(C)c(\C=C\c2nc(cs2)C(O)=O)c(-c2ccc(C)cc2)c1CN Show InChI InChI=1S/C24H27N3O2S/c1-14(2)11-20-19(12-25)23(17-7-5-15(3)6-8-17)18(16(4)26-20)9-10-22-27-21(13-30-22)24(28)29/h5-10,13-14H,11-12,25H2,1-4H3,(H,28,29)/b10-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human DPP4 purified from Caco2 cells pre-incubated for 15 mins before Gly-Pro-pNA substrate addition and measured after 60 mins				Bioorg Med Chem Lett 27: 3565-3571 (2017) Article DOI: 10.1016/j.bmcl.2017.05.048 BindingDB Entry DOI: 10.7270/Q2PK0JKX
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50253921 (CHEMBL4078049) Show SMILES Cl.Cl.CC(C)Cc1nc2ccc(OCCCCCC(O)=O)cc2c(-c2ccc(C)cc2)c1CN Show InChI InChI=1S/C27H34N2O3/c1-18(2)15-25-23(17-28)27(20-10-8-19(3)9-11-20)22-16-21(12-13-24(22)29-25)32-14-6-4-5-7-26(30)31/h8-13,16,18H,4-7,14-15,17,28H2,1-3H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human DPP4 purified from Caco2 cells pre-incubated for 15 mins before Gly-Pro-pNA substrate addition and measured after 60 mins				Bioorg Med Chem Lett 27: 3565-3571 (2017) Article DOI: 10.1016/j.bmcl.2017.05.048 BindingDB Entry DOI: 10.7270/Q2PK0JKX
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50253980 (CHEMBL4059815) Show SMILES Cl.Cl.CC(C)Cc1nc(C)c(COCc2ccc(cc2)C(O)=O)c(-c2ccc(C)cc2)c1CN Show InChI InChI=1S/C27H32N2O3/c1-17(2)13-25-23(14-28)26(21-9-5-18(3)6-10-21)24(19(4)29-25)16-32-15-20-7-11-22(12-8-20)27(30)31/h5-12,17H,13-16,28H2,1-4H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human DPP4 purified from Caco2 cells pre-incubated for 15 mins before Gly-Pro-pNA substrate addition and measured after 60 mins				Bioorg Med Chem Lett 27: 3565-3571 (2017) Article DOI: 10.1016/j.bmcl.2017.05.048 BindingDB Entry DOI: 10.7270/Q2PK0JKX
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50253978 (CHEMBL4089615) Show SMILES Cl.Cl.CC(C)Cc1nc(C)c(CCc2nc(cs2)C(N)=O)c(-c2ccc(C)cc2)c1CN Show InChI InChI=1S/C24H30N4OS/c1-14(2)11-20-19(12-25)23(17-7-5-15(3)6-8-17)18(16(4)27-20)9-10-22-28-21(13-30-22)24(26)29/h5-8,13-14H,9-12,25H2,1-4H3,(H2,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human DPP4 purified from Caco2 cells pre-incubated for 15 mins before Gly-Pro-pNA substrate addition and measured after 60 mins				Bioorg Med Chem Lett 27: 3565-3571 (2017) Article DOI: 10.1016/j.bmcl.2017.05.048 BindingDB Entry DOI: 10.7270/Q2PK0JKX
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50254018 (CHEMBL4096274) Show SMILES Cl.Cl.CC(C)Cc1ncc(-c2nc(cs2)C(C)=O)c(-c2ccc(C)cc2)c1CN Show InChI InChI=1S/C22H25N3OS/c1-13(2)9-19-17(10-23)21(16-7-5-14(3)6-8-16)18(11-24-19)22-25-20(12-27-22)15(4)26/h5-8,11-13H,9-10,23H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 human DPP4 purified from Caco2 cells pre-incubated for 15 mins before Gly-Pro-pNA substrate addition and measured after 60 mins				Bioorg Med Chem Lett 27: 3565-3571 (2017) Article DOI: 10.1016/j.bmcl.2017.05.048 BindingDB Entry DOI: 10.7270/Q2PK0JKX
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50254014 (CHEMBL4081741) Show SMILES CC(C)Cc1nc2ccc(OCCCCC(N)=O)cc2c(-c2ccc(C)cc2)c1CN Show InChI InChI=1S/C26H33N3O2/c1-17(2)14-24-22(16-27)26(19-9-7-18(3)8-10-19)21-15-20(11-12-23(21)29-24)31-13-5-4-6-25(28)30/h7-12,15,17H,4-6,13-14,16,27H2,1-3H3,(H2,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human DPP4 purified from Caco2 cells pre-incubated for 15 mins before Gly-Pro-pNA substrate addition and measured after 60 mins				Bioorg Med Chem Lett 27: 3565-3571 (2017) Article DOI: 10.1016/j.bmcl.2017.05.048 BindingDB Entry DOI: 10.7270/Q2PK0JKX
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50253947 (CHEMBL4071958) Show SMILES Cl.Cl.CC(C)Cc1nc2ccc(OCCCC(O)=O)cc2c(-c2ccc(C)cc2)c1CN Show InChI InChI=1S/C25H30N2O3/c1-16(2)13-23-21(15-26)25(18-8-6-17(3)7-9-18)20-14-19(10-11-22(20)27-23)30-12-4-5-24(28)29/h6-11,14,16H,4-5,12-13,15,26H2,1-3H3,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 human DPP4 purified from Caco2 cells pre-incubated for 15 mins before Gly-Pro-pNA substrate addition and measured after 60 mins				Bioorg Med Chem Lett 27: 3565-3571 (2017) Article DOI: 10.1016/j.bmcl.2017.05.048 BindingDB Entry DOI: 10.7270/Q2PK0JKX
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50253949 (CHEMBL4100667) Show SMILES Cl.Cl.CC(C)Cc1nc(C)c(C(=O)OCc2ccc(cc2)C(O)=O)c(-c2ccc(C)cc2)c1CN Show InChI InChI=1S/C27H30N2O4/c1-16(2)13-23-22(14-28)25(20-9-5-17(3)6-10-20)24(18(4)29-23)27(32)33-15-19-7-11-21(12-8-19)26(30)31/h5-12,16H,13-15,28H2,1-4H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 human DPP4 purified from Caco2 cells pre-incubated for 15 mins before Gly-Pro-pNA substrate addition and measured after 60 mins				Bioorg Med Chem Lett 27: 3565-3571 (2017) Article DOI: 10.1016/j.bmcl.2017.05.048 BindingDB Entry DOI: 10.7270/Q2PK0JKX
					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	22	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human DPP4 purified from Caco2 cells pre-incubated for 15 mins before Gly-Pro-pNA substrate addition and measured after 60 mins				Bioorg Med Chem Lett 27: 3565-3571 (2017) Article DOI: 10.1016/j.bmcl.2017.05.048 BindingDB Entry DOI: 10.7270/Q2PK0JKX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50253920 (CHEMBL4085490) Show SMILES Cl.Cl.CC(C)Cc1nc2ccc(cc2c(-c2ccc(C)cc2)c1CN)-c1ccc(o1)C(O)=O Show InChI InChI=1S/C26H26N2O3/c1-15(2)12-22-20(14-27)25(17-6-4-16(3)5-7-17)19-13-18(8-9-21(19)28-22)23-10-11-24(31-23)26(29)30/h4-11,13,15H,12,14,27H2,1-3H3,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human DPP4 purified from Caco2 cells pre-incubated for 15 mins before Gly-Pro-pNA substrate addition and measured after 60 mins				Bioorg Med Chem Lett 27: 3565-3571 (2017) Article DOI: 10.1016/j.bmcl.2017.05.048 BindingDB Entry DOI: 10.7270/Q2PK0JKX
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50253911 (CHEMBL4081713) Show SMILES Cl.Cl.CC(C)Cc1nc(C)c(C(=O)OCc2ccccc2C(O)=O)c(-c2ccc(C)cc2)c1CN Show InChI InChI=1S/C27H30N2O4/c1-16(2)13-23-22(14-28)25(19-11-9-17(3)10-12-19)24(18(4)29-23)27(32)33-15-20-7-5-6-8-21(20)26(30)31/h5-12,16H,13-15,28H2,1-4H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human DPP4 purified from Caco2 cells pre-incubated for 15 mins before Gly-Pro-pNA substrate addition and measured after 60 mins				Bioorg Med Chem Lett 27: 3565-3571 (2017) Article DOI: 10.1016/j.bmcl.2017.05.048 BindingDB Entry DOI: 10.7270/Q2PK0JKX
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50253948 (CHEMBL4075351) Show SMILES Cl.Cl.CC(C)Cc1nc2ccc(OCCC(O)=O)cc2c(-c2ccc(C)cc2)c1CN Show InChI InChI=1S/C24H28N2O3/c1-15(2)12-22-20(14-25)24(17-6-4-16(3)5-7-17)19-13-18(8-9-21(19)26-22)29-11-10-23(27)28/h4-9,13,15H,10-12,14,25H2,1-3H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human DPP4 purified from Caco2 cells pre-incubated for 15 mins before Gly-Pro-pNA substrate addition and measured after 60 mins				Bioorg Med Chem Lett 27: 3565-3571 (2017) Article DOI: 10.1016/j.bmcl.2017.05.048 BindingDB Entry DOI: 10.7270/Q2PK0JKX
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50253912 (CHEMBL4059789) Show SMILES Cl.Cl.CC(C)Cc1nc(C)c(C(=O)OC[C@H]2CC[C@@H](CC2)C(O)=O)c(-c2ccc(C)cc2)c1CN |r,wU:18.19,wD:15.12,(81.63,-43.08,;84.15,-42.77,;71.99,-34.37,;73.32,-35.15,;74.66,-34.37,;73.32,-36.69,;74.66,-37.46,;75.99,-36.69,;77.33,-37.45,;78.66,-36.68,;77.33,-39,;78.66,-39.76,;78.66,-41.29,;79.99,-38.99,;81.32,-39.75,;82.64,-38.98,;83.97,-39.74,;85.29,-38.97,;85.29,-37.44,;83.96,-36.67,;82.63,-37.44,;86.62,-36.67,;87.95,-37.44,;86.62,-35.14,;75.99,-39.78,;75.99,-41.31,;74.66,-42.08,;74.67,-43.63,;76,-44.4,;76,-45.94,;77.34,-43.61,;77.33,-42.07,;74.66,-39,;73.32,-39.78,;71.99,-39,)| Show InChI InChI=1S/C27H36N2O4.2ClH/c1-16(2)13-23-22(14-28)25(20-9-5-17(3)6-10-20)24(18(4)29-23)27(32)33-15-19-7-11-21(12-8-19)26(30)31;;/h5-6,9-10,16,19,21H,7-8,11-15,28H2,1-4H3,(H,30,31);2*1H/t19-,21-;;	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human DPP4 purified from Caco2 cells pre-incubated for 15 mins before Gly-Pro-pNA substrate addition and measured after 60 mins				Bioorg Med Chem Lett 27: 3565-3571 (2017) Article DOI: 10.1016/j.bmcl.2017.05.048 BindingDB Entry DOI: 10.7270/Q2PK0JKX
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50253984 (CHEMBL4082680) Show SMILES Cl.Cl.CC(C)Cc1nc(C)c(C(=O)OCc2cccc(c2)C(O)=O)c(-c2ccc(C)cc2)c1CN Show InChI InChI=1S/C27H30N2O4/c1-16(2)12-23-22(14-28)25(20-10-8-17(3)9-11-20)24(18(4)29-23)27(32)33-15-19-6-5-7-21(13-19)26(30)31/h5-11,13,16H,12,14-15,28H2,1-4H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human DPP4 purified from Caco2 cells pre-incubated for 15 mins before Gly-Pro-pNA substrate addition and measured after 60 mins				Bioorg Med Chem Lett 27: 3565-3571 (2017) Article DOI: 10.1016/j.bmcl.2017.05.048 BindingDB Entry DOI: 10.7270/Q2PK0JKX
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50253985 (CHEMBL4082445) Show SMILES Cl.Cl.CC(C)Cc1nc2ccc(OCC(O)=O)cc2c(-c2ccc(C)cc2)c1CN Show InChI InChI=1S/C23H26N2O3/c1-14(2)10-21-19(12-24)23(16-6-4-15(3)5-7-16)18-11-17(28-13-22(26)27)8-9-20(18)25-21/h4-9,11,14H,10,12-13,24H2,1-3H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human DPP4 purified from Caco2 cells pre-incubated for 15 mins before Gly-Pro-pNA substrate addition and measured after 60 mins				Bioorg Med Chem Lett 27: 3565-3571 (2017) Article DOI: 10.1016/j.bmcl.2017.05.048 BindingDB Entry DOI: 10.7270/Q2PK0JKX
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50253968 (CHEMBL4092983) Show SMILES CC(C)Cc1nc2ccc(cc2c(-c2ccccc2)c1CN)C(N)=O Show InChI InChI=1S/C21H23N3O/c1-13(2)10-19-17(12-22)20(14-6-4-3-5-7-14)16-11-15(21(23)25)8-9-18(16)24-19/h3-9,11,13H,10,12,22H2,1-2H3,(H2,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human DPP4 purified from Caco2 cells pre-incubated for 15 mins before Gly-Pro-pNA substrate addition and measured after 60 mins				Bioorg Med Chem Lett 27: 3565-3571 (2017) Article DOI: 10.1016/j.bmcl.2017.05.048 BindingDB Entry DOI: 10.7270/Q2PK0JKX
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50253919 (CHEMBL4089584) Show SMILES CC(C)Cn1c(CN)c(-c2ccc(C)cc2)c2cc(OCC(N)=O)ccc2c1=O Show InChI InChI=1S/C23H27N3O3/c1-14(2)12-26-20(11-24)22(16-6-4-15(3)5-7-16)19-10-17(29-13-21(25)27)8-9-18(19)23(26)28/h4-10,14H,11-13,24H2,1-3H3,(H2,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human DPP4 purified from Caco2 cells pre-incubated for 15 mins before Gly-Pro-pNA substrate addition and measured after 60 mins				Bioorg Med Chem Lett 27: 3565-3571 (2017) Article DOI: 10.1016/j.bmcl.2017.05.048 BindingDB Entry DOI: 10.7270/Q2PK0JKX
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50253951 (CHEMBL4085958) Show SMILES CC(C)(C)Cc1nc2ccc(OCC(N)=O)cc2c(-c2ccccc2)c1CN Show InChI InChI=1S/C23H27N3O2/c1-23(2,3)12-20-18(13-24)22(15-7-5-4-6-8-15)17-11-16(28-14-21(25)27)9-10-19(17)26-20/h4-11H,12-14,24H2,1-3H3,(H2,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human DPP4 purified from Caco2 cells pre-incubated for 15 mins before Gly-Pro-pNA substrate addition and measured after 60 mins				Bioorg Med Chem Lett 27: 3565-3571 (2017) Article DOI: 10.1016/j.bmcl.2017.05.048 BindingDB Entry DOI: 10.7270/Q2PK0JKX
					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	270	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human DPP4 purified from Caco2 cells pre-incubated for 15 mins before Gly-Pro-pNA substrate addition and measured after 60 mins				Bioorg Med Chem Lett 27: 3565-3571 (2017) Article DOI: 10.1016/j.bmcl.2017.05.048 BindingDB Entry DOI: 10.7270/Q2PK0JKX
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM123781 (3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4- phenyl...) Show SMILES CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(ccc2c1=O)C(N)=O Show InChI InChI=1S/C21H23N3O2/c1-13(2)12-24-18(11-22)19(14-6-4-3-5-7-14)17-10-15(20(23)25)8-9-16(17)21(24)26/h3-10,13H,11-12,22H2,1-2H3,(H2,23,25)	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	360	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human DPP4 purified from Caco2 cells pre-incubated for 15 mins before Gly-Pro-pNA substrate addition and measured after 60 mins				Bioorg Med Chem Lett 27: 3565-3571 (2017) Article DOI: 10.1016/j.bmcl.2017.05.048 BindingDB Entry DOI: 10.7270/Q2PK0JKX
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50253969 (CHEMBL4105034) Show SMILES Cl.Cl.CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(cnc2c1=O)C(N)=O Show InChI InChI=1S/C20H22N4O2/c1-12(2)11-24-16(9-21)17(13-6-4-3-5-7-13)15-8-14(19(22)25)10-23-18(15)20(24)26/h3-8,10,12H,9,11,21H2,1-2H3,(H2,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human DPP4 purified from Caco2 cells pre-incubated for 15 mins before Gly-Pro-pNA substrate addition and measured after 60 mins				Bioorg Med Chem Lett 27: 3565-3571 (2017) Article DOI: 10.1016/j.bmcl.2017.05.048 BindingDB Entry DOI: 10.7270/Q2PK0JKX
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50253913 (CHEMBL4071166) Show SMILES Cl.Cl.CC(C)Cc1nc(C)c(C(=O)OCCCC(O)=O)c(-c2ccc(C)cc2)c1CN Show InChI InChI=1S/C23H30N2O4/c1-14(2)12-19-18(13-24)22(17-9-7-15(3)8-10-17)21(16(4)25-19)23(28)29-11-5-6-20(26)27/h7-10,14H,5-6,11-13,24H2,1-4H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human DPP4 purified from Caco2 cells pre-incubated for 15 mins before Gly-Pro-pNA substrate addition and measured after 60 mins				Bioorg Med Chem Lett 27: 3565-3571 (2017) Article DOI: 10.1016/j.bmcl.2017.05.048 BindingDB Entry DOI: 10.7270/Q2PK0JKX
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50253967 (CHEMBL4101425) Show SMILES CCCc1nc2ccc(OCC(N)=O)cc2c(-c2ccccc2)c1CN Show InChI InChI=1S/C21H23N3O2/c1-2-6-18-17(12-22)21(14-7-4-3-5-8-14)16-11-15(26-13-20(23)25)9-10-19(16)24-18/h3-5,7-11H,2,6,12-13,22H2,1H3,(H2,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human DPP4 purified from Caco2 cells pre-incubated for 15 mins before Gly-Pro-pNA substrate addition and measured after 60 mins				Bioorg Med Chem Lett 27: 3565-3571 (2017) Article DOI: 10.1016/j.bmcl.2017.05.048 BindingDB Entry DOI: 10.7270/Q2PK0JKX
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50253996 (CHEMBL4072939) Show SMILES CCCCCc1nc2ccc(OCC(N)=O)cc2c(-c2ccccc2)c1CN Show InChI InChI=1S/C23H27N3O2/c1-2-3-5-10-20-19(14-24)23(16-8-6-4-7-9-16)18-13-17(28-15-22(25)27)11-12-21(18)26-20/h4,6-9,11-13H,2-3,5,10,14-15,24H2,1H3,(H2,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human DPP4 purified from Caco2 cells pre-incubated for 15 mins before Gly-Pro-pNA substrate addition and measured after 60 mins				Bioorg Med Chem Lett 27: 3565-3571 (2017) Article DOI: 10.1016/j.bmcl.2017.05.048 BindingDB Entry DOI: 10.7270/Q2PK0JKX
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50253966 (CHEMBL4083433) Show SMILES CCCCc1nc2ccc(OCC(N)=O)cc2c(-c2ccccc2)c1CN Show InChI InChI=1S/C22H25N3O2/c1-2-3-9-19-18(13-23)22(15-7-5-4-6-8-15)17-12-16(27-14-21(24)26)10-11-20(17)25-19/h4-8,10-12H,2-3,9,13-14,23H2,1H3,(H2,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human DPP4 purified from Caco2 cells pre-incubated for 15 mins before Gly-Pro-pNA substrate addition and measured after 60 mins				Bioorg Med Chem Lett 27: 3565-3571 (2017) Article DOI: 10.1016/j.bmcl.2017.05.048 BindingDB Entry DOI: 10.7270/Q2PK0JKX
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50253997 (CHEMBL4072218) Show SMILES CC(C)Cc1nc2ccc(Br)cc2c(-c2ccccc2)c1CN Show InChI InChI=1S/C20H21BrN2/c1-13(2)10-19-17(12-22)20(14-6-4-3-5-7-14)16-11-15(21)8-9-18(16)23-19/h3-9,11,13H,10,12,22H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human DPP4 purified from Caco2 cells pre-incubated for 15 mins before Gly-Pro-pNA substrate addition and measured after 60 mins				Bioorg Med Chem Lett 27: 3565-3571 (2017) Article DOI: 10.1016/j.bmcl.2017.05.048 BindingDB Entry DOI: 10.7270/Q2PK0JKX
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50253950 (CHEMBL4064424) Show SMILES NCc1c(Cc2ccccc2)nc2ccc(OCC(N)=O)cc2c1-c1ccccc1 Show InChI InChI=1S/C25H23N3O2/c26-15-21-23(13-17-7-3-1-4-8-17)28-22-12-11-19(30-16-24(27)29)14-20(22)25(21)18-9-5-2-6-10-18/h1-12,14H,13,15-16,26H2,(H2,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human DPP4 purified from Caco2 cells pre-incubated for 15 mins before Gly-Pro-pNA substrate addition and measured after 60 mins				Bioorg Med Chem Lett 27: 3565-3571 (2017) Article DOI: 10.1016/j.bmcl.2017.05.048 BindingDB Entry DOI: 10.7270/Q2PK0JKX
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50253971 (CHEMBL4079304) Show SMILES CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(Br)ccc2c1=O Show InChI InChI=1S/C20H21BrN2O/c1-13(2)12-23-18(11-22)19(14-6-4-3-5-7-14)17-10-15(21)8-9-16(17)20(23)24/h3-10,13H,11-12,22H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human DPP4 purified from Caco2 cells pre-incubated for 15 mins before Gly-Pro-pNA substrate addition and measured after 60 mins				Bioorg Med Chem Lett 27: 3565-3571 (2017) Article DOI: 10.1016/j.bmcl.2017.05.048 BindingDB Entry DOI: 10.7270/Q2PK0JKX
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50253970 (CHEMBL4087191) Show SMILES CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(Br)cnc2c1=O Show InChI InChI=1S/C19H20BrN3O/c1-12(2)11-23-16(9-21)17(13-6-4-3-5-7-13)15-8-14(20)10-22-18(15)19(23)24/h3-8,10,12H,9,11,21H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human DPP4 purified from Caco2 cells pre-incubated for 15 mins before Gly-Pro-pNA substrate addition and measured after 60 mins				Bioorg Med Chem Lett 27: 3565-3571 (2017) Article DOI: 10.1016/j.bmcl.2017.05.048 BindingDB Entry DOI: 10.7270/Q2PK0JKX
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 8 (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 KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of FLAG-tagged human DPP8 expressed in 293-F cells pre-incubated for 20 mins before Gly-Pro-pNA substrate addition and measured after 90 m...				Bioorg Med Chem Lett 27: 3565-3571 (2017) Article DOI: 10.1016/j.bmcl.2017.05.048 BindingDB Entry DOI: 10.7270/Q2PK0JKX
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 8 (Homo sapiens (Human))	BDBM50253949 (CHEMBL4100667) Show SMILES Cl.Cl.CC(C)Cc1nc(C)c(C(=O)OCc2ccc(cc2)C(O)=O)c(-c2ccc(C)cc2)c1CN Show InChI InChI=1S/C27H30N2O4/c1-16(2)13-23-22(14-28)25(20-9-5-17(3)6-10-20)24(18(4)29-23)27(32)33-15-19-7-11-21(12-8-19)26(30)31/h5-12,16H,13-15,28H2,1-4H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of FLAG-tagged human DPP8 expressed in 293-F cells pre-incubated for 20 mins before Gly-Pro-pNA substrate addition and measured after 90 m...				Bioorg Med Chem Lett 27: 3565-3571 (2017) Article DOI: 10.1016/j.bmcl.2017.05.048 BindingDB Entry DOI: 10.7270/Q2PK0JKX
					More data for this Ligand-Target Pair