Compile Data Set for Download or QSAR

Found 78 hits with Last Name = 'murozono' and Initial = 't'   

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
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50190677 ((R)-3'-(3-bromobenzo[b]thiophen-5-yl)spiro[1-azabi...) Show SMILES Brc1coc2ccc(cc12)N1C[C@]2(CN3CCC2CC3)OC1=O |wU:12.23,TLB:11:12:16.15:18.19,THB:20:12:16.15:18.19,(18.37,-17.66,;16.95,-18.23,;16.58,-19.73,;15.04,-19.83,;14.48,-18.4,;13.03,-17.88,;12.76,-16.36,;13.94,-15.36,;15.38,-15.89,;15.65,-17.41,;13.87,-13.82,;12.58,-12.98,;12.99,-11.49,;12.71,-10.09,;11.36,-9.48,;9.89,-10.13,;10.08,-11.51,;11.62,-10.85,;11.87,-8.95,;11.43,-7.84,;14.52,-11.41,;15.07,-12.85,;16.56,-13.26,)| Show InChI InChI=1S/C17H17BrN2O3/c18-14-8-22-15-2-1-12(7-13(14)15)20-10-17(23-16(20)21)9-19-5-3-11(17)4-6-19/h1-2,7-8,11H,3-6,9-10H2/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Displacement of [125I]alpha-BTX from alpha-7 nAChR in rat hippocampus membrane				J Med Chem 49: 4374-83 (2006) Article DOI: 10.1021/jm060249c BindingDB Entry DOI: 10.7270/Q2BR8T08
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50190686 ((R)-3'-(2,3-dimethylbenzo[b]thiophen-5-yl)spiro[1-...) Show SMILES Cc1oc2ccc(cc2c1C)N1C[C@]2(CN3CCC2CC3)OC1=O |wU:13.24,TLB:12:13:17.16:19.20,THB:21:13:17.16:19.20,(27.52,-20.9,;26.53,-19.72,;25,-19.82,;24.43,-18.39,;22.98,-17.87,;22.71,-16.35,;23.89,-15.35,;25.34,-15.88,;25.6,-17.4,;26.9,-18.22,;28.33,-17.65,;23.82,-13.81,;22.53,-12.96,;22.94,-11.47,;22.66,-10.07,;21.3,-9.46,;19.83,-10.11,;20.03,-11.49,;21.57,-10.83,;21.82,-8.93,;21.38,-7.82,;24.48,-11.4,;25.02,-12.84,;26.52,-13.24,)| Show InChI InChI=1S/C19H22N2O3/c1-12-13(2)23-17-4-3-15(9-16(12)17)21-11-19(24-18(21)22)10-20-7-5-14(19)6-8-20/h3-4,9,14H,5-8,10-11H2,1-2H3/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Displacement of [125I]alpha-BTX from alpha-7 nAChR in rat hippocampus membrane				J Med Chem 49: 4374-83 (2006) Article DOI: 10.1021/jm060249c BindingDB Entry DOI: 10.7270/Q2BR8T08
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50190696 ((2S)-3'-(5-bromothien-2-yl)-2'H-spiro[4-azabicyclo...) Show SMILES Brc1ccc(s1)N1C[C@]2(CN3CCC2CC3)OC1=O |wU:8.18,TLB:7:8:12.11:14.15,THB:16:8:12.11:14.15,(5.67,-5.62,;4.7,-4.42,;3.16,-4.5,;2.61,-3.06,;3.81,-2.09,;5.1,-2.93,;3.74,-.55,;2.45,.29,;2.85,1.77,;2.57,3.17,;1.22,3.79,;-.25,3.14,;-.05,1.76,;1.49,2.42,;1.74,4.32,;1.29,5.43,;4.39,1.85,;4.93,.41,;6.42,.01,)| Show InChI InChI=1S/C13H15BrN2O2S/c14-10-1-2-11(19-10)16-8-13(18-12(16)17)7-15-5-3-9(13)4-6-15/h1-2,9H,3-8H2/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Displacement of [125I]alpha-BTX from alpha-7 nAChR in rat hippocampus membrane				J Med Chem 49: 4374-83 (2006) Article DOI: 10.1021/jm060249c BindingDB Entry DOI: 10.7270/Q2BR8T08
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50190687 ((R)-3'-(indan-5-yl)spiro[-1-azabicyclo[2.2.2]octan...) Show SMILES O=C1O[C@]2(CN1c1ccc3CCCc3c1)CN1CCC2CC1 |wU:3.2,TLB:4:3:18.17:20.21,THB:2:3:18.17:20.21,(14.11,.37,;12.62,.78,;12.07,2.22,;10.53,2.14,;10.12,.65,;11.42,-.19,;11.49,-1.74,;10.3,-2.73,;10.57,-4.26,;12.02,-4.78,;12.59,-6.21,;14.12,-6.1,;14.5,-4.61,;13.19,-3.79,;12.93,-2.27,;10.25,3.53,;8.9,4.15,;7.43,3.5,;7.62,2.12,;9.16,2.78,;9.42,4.68,;8.97,5.79,)| Show InChI InChI=1S/C18H22N2O2/c21-17-20(16-5-4-13-2-1-3-14(13)10-16)12-18(22-17)11-19-8-6-15(18)7-9-19/h4-5,10,15H,1-3,6-9,11-12H2/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Displacement of [125I]alpha-BTX from alpha-7 nAChR in rat hippocampus membrane				J Med Chem 49: 4374-83 (2006) Article DOI: 10.1021/jm060249c BindingDB Entry DOI: 10.7270/Q2BR8T08
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Rattus norvegicus (rat))	BDBM50391561 (CHEMBL2147704) Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1nnnn1-c1ccccc1)N1CCSC1 |r| Show InChI InChI=1S/C19H26N8OS/c28-18(26-10-11-29-14-26)17-12-16(13-20-17)24-6-8-25(9-7-24)19-21-22-23-27(19)15-4-2-1-3-5-15/h1-5,16-17,20H,6-14H2/t16-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Rattus norvegicus (rat))	BDBM50391559 (CHEMBL2147703) Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1nccn1-c1ccccc1)N1CCSC1 |r| Show InChI InChI=1S/C21H28N6OS/c28-20(26-12-13-29-16-26)19-14-18(15-23-19)24-8-10-25(11-9-24)21-22-6-7-27(21)17-4-2-1-3-5-17/h1-7,18-19,23H,8-16H2/t18-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50391561 (CHEMBL2147704) Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1nnnn1-c1ccccc1)N1CCSC1 |r| Show InChI InChI=1S/C19H26N8OS/c28-18(26-10-11-29-14-26)17-12-16(13-20-17)24-6-8-25(9-7-24)19-21-22-23-27(19)15-4-2-1-3-5-15/h1-5,16-17,20H,6-14H2/t16-,17-/m0/s1	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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50391559 (CHEMBL2147703) Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1nccn1-c1ccccc1)N1CCSC1 |r| Show InChI InChI=1S/C21H28N6OS/c28-20(26-12-13-29-16-26)19-14-18(15-23-19)24-8-10-25(11-9-24)21-22-6-7-27(21)17-4-2-1-3-5-17/h1-7,18-19,23H,8-16H2/t18-,19-/m0/s1	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	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Rattus norvegicus (rat))	BDBM50391565 (CHEMBL2147777) Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C22H30N6OS/c1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27/h2-6,13,19-20,23H,7-12,14-16H2,1H3/t19-,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50391570 (CHEMBL2147712) Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1cccc(F)c1 |r| Show InChI InChI=1S/C22H29FN6OS/c1-16-11-21(29(25-16)18-4-2-3-17(23)12-18)27-7-5-26(6-8-27)19-13-20(24-14-19)22(30)28-9-10-31-15-28/h2-4,11-12,19-20,24H,5-10,13-15H2,1H3/t19-,20-/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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Rattus norvegicus (rat))	BDBM50391567 (CHEMBL2147709) Show SMILES FC(F)(F)c1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C22H27F3N6OS/c23-22(24,25)19-13-20(31(27-19)16-4-2-1-3-5-16)29-8-6-28(7-9-29)17-12-18(26-14-17)21(32)30-10-11-33-15-30/h1-5,13,17-18,26H,6-12,14-15H2/t17-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50391567 (CHEMBL2147709) Show SMILES FC(F)(F)c1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C22H27F3N6OS/c23-22(24,25)19-13-20(31(27-19)16-4-2-1-3-5-16)29-8-6-28(7-9-29)17-12-18(26-14-17)21(32)30-10-11-33-15-30/h1-5,13,17-18,26H,6-12,14-15H2/t17-,18-/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	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50388112 (CHEMBL2058971) Show SMILES FC(F)(F)c1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)c2ccccc2n1 |r| Show InChI InChI=1S/C22H26F3N5OS/c23-22(24,25)20-12-19(16-3-1-2-4-17(16)27-20)29-7-5-28(6-8-29)15-11-18(26-13-15)21(31)30-9-10-32-14-30/h1-4,12,15,18,26H,5-11,13-14H2/t15-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50391565 (CHEMBL2147777) Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C22H30N6OS/c1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27/h2-6,13,19-20,23H,7-12,14-16H2,1H3/t19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Rattus norvegicus (rat))	BDBM50391570 (CHEMBL2147712) Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1cccc(F)c1 |r| Show InChI InChI=1S/C22H29FN6OS/c1-16-11-21(29(25-16)18-4-2-3-17(23)12-18)27-7-5-26(6-8-27)19-13-20(24-14-19)22(30)28-9-10-31-15-28/h2-4,11-12,19-20,24H,5-10,13-15H2,1H3/t19-,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Rattus norvegicus (rat))	BDBM50391571 (CHEMBL2147713) Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccccc1F |r| Show InChI InChI=1S/C22H29FN6OS/c1-16-12-21(29(25-16)20-5-3-2-4-18(20)23)27-8-6-26(7-9-27)17-13-19(24-14-17)22(30)28-10-11-31-15-28/h2-5,12,17,19,24H,6-11,13-15H2,1H3/t17-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50391576 (CHEMBL2147773) Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1cccnc1 |r| Show InChI InChI=1S/C21H29N7OS/c1-16-11-20(28(24-16)17-3-2-4-22-13-17)26-7-5-25(6-8-26)18-12-19(23-14-18)21(29)27-9-10-30-15-27/h2-4,11,13,18-19,23H,5-10,12,14-15H2,1H3/t18-,19-/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	0.620	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50391568 (CHEMBL2147771) Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccccn1 |r| Show InChI InChI=1S/C21H29N7OS/c1-16-12-20(28(24-16)19-4-2-3-5-22-19)26-8-6-25(7-9-26)17-13-18(23-14-17)21(29)27-10-11-30-15-27/h2-5,12,17-18,23H,6-11,13-15H2,1H3/t17-,18-/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	0.630	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Rattus norvegicus (rat))	BDBM50391564 (CHEMBL2147707) Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ccnn1-c1ccccc1)N1CCSC1 |r| Show InChI InChI=1S/C21H28N6OS/c28-21(26-12-13-29-16-26)19-14-18(15-22-19)24-8-10-25(11-9-24)20-6-7-23-27(20)17-4-2-1-3-5-17/h1-7,18-19,22H,8-16H2/t18-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.690	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Rattus norvegicus (rat))	BDBM50391568 (CHEMBL2147771) Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccccn1 |r| Show InChI InChI=1S/C21H29N7OS/c1-16-12-20(28(24-16)19-4-2-3-5-22-19)26-8-6-25(7-9-26)17-13-18(23-14-17)21(29)27-10-11-30-15-27/h2-5,12,17-18,23H,6-11,13-15H2,1H3/t17-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.720	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Rattus norvegicus (rat))	BDBM50391576 (CHEMBL2147773) Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1cccnc1 |r| Show InChI InChI=1S/C21H29N7OS/c1-16-11-20(28(24-16)17-3-2-4-22-13-17)26-7-5-25(6-8-26)18-12-19(23-14-18)21(29)27-9-10-30-15-27/h2-4,11,13,18-19,23H,5-10,12,14-15H2,1H3/t18-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.770	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50391571 (CHEMBL2147713) Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccccc1F |r| Show InChI InChI=1S/C22H29FN6OS/c1-16-12-21(29(25-16)20-5-3-2-4-18(20)23)27-8-6-26(7-9-27)17-13-19(24-14-17)22(30)28-10-11-31-15-28/h2-5,12,17,19,24H,6-11,13-15H2,1H3/t17-,19-/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	0.850	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50391564 (CHEMBL2147707) Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ccnn1-c1ccccc1)N1CCSC1 |r| Show InChI InChI=1S/C21H28N6OS/c28-21(26-12-13-29-16-26)19-14-18(15-22-19)24-8-10-25(11-9-24)20-6-7-23-27(20)17-4-2-1-3-5-17/h1-7,18-19,22H,8-16H2/t18-,19-/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	0.940	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50388117 (CHEMBL2058969) Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ccnc2ccccc12)N1CCSC1 |r| Show InChI InChI=1S/C21H27N5OS/c27-21(26-11-12-28-15-26)19-13-16(14-23-19)24-7-9-25(10-8-24)20-5-6-22-18-4-2-1-3-17(18)20/h1-6,16,19,23H,7-15H2/t16-,19-/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	0.950	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Rattus norvegicus (rat))	BDBM50388117 (CHEMBL2058969) Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ccnc2ccccc12)N1CCSC1 |r| Show InChI InChI=1S/C21H27N5OS/c27-21(26-11-12-28-15-26)19-13-16(14-23-19)24-7-9-25(10-8-24)20-5-6-22-18-4-2-1-3-17(18)20/h1-6,16,19,23H,7-15H2/t16-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50206058 (6-(4-((3S,5S)-5-(thiazolidine-3-carbonyl)pyrrolidi...) Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ccc(cn1)C#N)N1CCSC1 Show InChI InChI=1S/C18H24N6OS/c19-10-14-1-2-17(21-11-14)23-5-3-22(4-6-23)15-9-16(20-12-15)18(25)24-7-8-26-13-24/h1-2,11,15-16,20H,3-9,12-13H2/t15-,16-/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	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50206038 (((2S,4S)-4-(4-(4-nitrophenyl)piperazin-1-yl)pyrrol...) Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)[C@@H]1CN[C@@H](C1)C(=O)N1CCSC1 Show InChI InChI=1S/C18H25N5O3S/c24-18(22-9-10-27-13-22)17-11-16(12-19-17)21-7-5-20(6-8-21)14-1-3-15(4-2-14)23(25)26/h1-4,16-17,19H,5-13H2/t16-,17-/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	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50388116 (CHEMBL2058968) Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ccc2ccccc2n1)N1CCSC1 |r| Show InChI InChI=1S/C21H27N5OS/c27-21(26-11-12-28-15-26)19-13-17(14-22-19)24-7-9-25(10-8-24)20-6-5-16-3-1-2-4-18(16)23-20/h1-6,17,19,22H,7-15H2/t17-,19-/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	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Rattus norvegicus (rat))	BDBM50391573 (CHEMBL2147711) Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C22H29FN6OS/c1-16-12-21(29(25-16)18-4-2-17(23)3-5-18)27-8-6-26(7-9-27)19-13-20(24-14-19)22(30)28-10-11-31-15-28/h2-5,12,19-20,24H,6-11,13-15H2,1H3/t19-,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Rattus norvegicus (rat))	BDBM50391574 (CHEMBL2147710) Show SMILES FC(F)(F)c1cc(C2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C23H28F3N5OS/c24-23(25,26)21-13-20(31(28-21)17-4-2-1-3-5-17)16-6-8-29(9-7-16)18-12-19(27-14-18)22(32)30-10-11-33-15-30/h1-5,13,16,18-19,27H,6-12,14-15H2/t18-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Rattus norvegicus (rat))	BDBM50391560 (CHEMBL2147705) Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCC(CC1)c1nnnn1-c1ccccc1)N1CCSC1 |r| Show InChI InChI=1S/C20H27N7OS/c28-20(26-10-11-29-14-26)18-12-17(13-21-18)25-8-6-15(7-9-25)19-22-23-24-27(19)16-4-2-1-3-5-16/h1-5,15,17-18,21H,6-14H2/t17-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Rattus norvegicus (rat))	BDBM50391569 (CHEMBL2147714) Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C22H29ClN6OS/c1-16-12-21(29(25-16)18-4-2-17(23)3-5-18)27-8-6-26(7-9-27)19-13-20(24-14-19)22(30)28-10-11-31-15-28/h2-5,12,19-20,24H,6-11,13-15H2,1H3/t19-,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50391573 (CHEMBL2147711) Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C22H29FN6OS/c1-16-12-21(29(25-16)18-4-2-17(23)3-5-18)27-8-6-26(7-9-27)19-13-20(24-14-19)22(30)28-10-11-31-15-28/h2-5,12,19-20,24H,6-11,13-15H2,1H3/t19-,20-/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
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Rattus norvegicus (rat))	BDBM50388116 (CHEMBL2058968) Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ccc2ccccc2n1)N1CCSC1 |r| Show InChI InChI=1S/C21H27N5OS/c27-21(26-11-12-28-15-26)19-13-17(14-22-19)24-7-9-25(10-8-24)20-6-5-16-3-1-2-4-18(16)23-20/h1-6,17,19,22H,7-15H2/t17-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Rattus norvegicus (rat))	BDBM50391563 (CHEMBL2147706) Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1nnnn1C1CCCCC1)N1CCSC1 |r| Show InChI InChI=1S/C19H32N8OS/c28-18(26-10-11-29-14-26)17-12-16(13-20-17)24-6-8-25(9-7-24)19-21-22-23-27(19)15-4-2-1-3-5-15/h15-17,20H,1-14H2/t16-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50391569 (CHEMBL2147714) Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C22H29ClN6OS/c1-16-12-21(29(25-16)18-4-2-17(23)3-5-18)27-8-6-26(7-9-27)19-13-20(24-14-19)22(30)28-10-11-31-15-28/h2-5,12,19-20,24H,6-11,13-15H2,1H3/t19-,20-/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	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50391560 (CHEMBL2147705) Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCC(CC1)c1nnnn1-c1ccccc1)N1CCSC1 |r| Show InChI InChI=1S/C20H27N7OS/c28-20(26-10-11-29-14-26)18-12-17(13-21-18)25-8-6-15(7-9-25)19-22-23-24-27(19)16-4-2-1-3-5-16/h1-5,15,17-18,21H,6-14H2/t17-,18-/m0/s1	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	4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50391563 (CHEMBL2147706) Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1nnnn1C1CCCCC1)N1CCSC1 |r| Show InChI InChI=1S/C19H32N8OS/c28-18(26-10-11-29-14-26)17-12-16(13-20-17)24-6-8-25(9-7-24)19-21-22-23-27(19)15-4-2-1-3-5-15/h15-17,20H,1-14H2/t16-,17-/m0/s1	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	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50391558 (CHEMBL2147702) Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1nc(cs1)-c1ccccc1)N1CCSC1 |r| Show InChI InChI=1S/C21H27N5OS2/c27-20(26-10-11-28-15-26)18-12-17(13-22-18)24-6-8-25(9-7-24)21-23-19(14-29-21)16-4-2-1-3-5-16/h1-5,14,17-18,22H,6-13,15H2/t17-,18-/m0/s1	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	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Rattus norvegicus (rat))	BDBM50391566 (CHEMBL2147772) Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccncc1 |r| Show InChI InChI=1S/C21H29N7OS/c1-16-12-20(28(24-16)17-2-4-22-5-3-17)26-8-6-25(7-9-26)18-13-19(23-14-18)21(29)27-10-11-30-15-27/h2-5,12,18-19,23H,6-11,13-15H2,1H3/t18-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50391566 (CHEMBL2147772) Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccncc1 |r| Show InChI InChI=1S/C21H29N7OS/c1-16-12-20(28(24-16)17-2-4-22-5-3-17)26-8-6-25(7-9-26)18-13-19(23-14-18)21(29)27-10-11-30-15-27/h2-5,12,18-19,23H,6-11,13-15H2,1H3/t18-,19-/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	5	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Rattus norvegicus (rat))	BDBM50391558 (CHEMBL2147702) Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1nc(cs1)-c1ccccc1)N1CCSC1 |r| Show InChI InChI=1S/C21H27N5OS2/c27-20(26-10-11-28-15-26)18-12-17(13-22-18)24-6-8-25(9-7-24)21-23-19(14-29-21)16-4-2-1-3-5-16/h1-5,14,17-18,22H,6-13,15H2/t17-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50391574 (CHEMBL2147710) Show SMILES FC(F)(F)c1cc(C2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C23H28F3N5OS/c24-23(25,26)21-13-20(31(28-21)17-4-2-1-3-5-17)16-6-8-29(9-7-16)18-12-19(27-14-18)22(32)30-10-11-33-15-30/h1-5,13,16,18-19,27H,6-12,14-15H2/t18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Rattus norvegicus (rat))	BDBM50391562 (CHEMBL2147775) Show SMILES Cc1cc(N2CCN(CC2)[C@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C22H30N6OS/c1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27/h2-6,13,19-20,23H,7-12,14-16H2,1H3/t19-,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase 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
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50391562 (CHEMBL2147775) Show SMILES Cc1cc(N2CCN(CC2)[C@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccccc1 |r| Show InChI InChI=1S/C22H30N6OS/c1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27/h2-6,13,19-20,23H,7-12,14-16H2,1H3/t19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50391577 (CHEMBL2147715) Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C23H29N7OS/c1-17-12-22(30(26-17)19-4-2-18(14-24)3-5-19)28-8-6-27(7-9-28)20-13-21(25-15-20)23(31)29-10-11-32-16-29/h2-5,12,20-21,25H,6-11,13,15-16H2,1H3/t20-,21-/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	12	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 8 (Homo sapiens (Human))	BDBM50206038 (((2S,4S)-4-(4-(4-nitrophenyl)piperazin-1-yl)pyrrol...) Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)[C@@H]1CN[C@@H](C1)C(=O)N1CCSC1 Show InChI InChI=1S/C18H25N5O3S/c24-18(22-9-10-27-13-22)17-11-16(12-19-17)21-7-5-20(6-8-21)14-1-3-15(4-2-14)23(25)26/h1-4,16-17,19H,5-13H2/t16-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt 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
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human DPP8 using GLY-Pro-MCA as substrate after 30 mins by cell-based fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Rattus norvegicus (rat))	BDBM50391577 (CHEMBL2147715) Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C23H29N7OS/c1-17-12-22(30(26-17)19-4-2-18(14-24)3-5-19)28-8-6-27(7-9-28)20-13-21(25-15-20)23(31)29-10-11-32-16-29/h2-5,12,20-21,25H,6-11,13,15-16H2,1H3/t20-,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Rattus norvegicus (rat))	BDBM50391575 (CHEMBL2147774) Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccc(cn1)C#N |r| Show InChI InChI=1S/C22H28N8OS/c1-16-10-21(30(26-16)20-3-2-17(12-23)13-25-20)28-6-4-27(5-7-28)18-11-19(24-14-18)22(31)29-8-9-32-15-29/h2-3,10,13,18-19,24H,4-9,11,14-15H2,1H3/t18-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50391575 (CHEMBL2147774) Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccc(cn1)C#N |r| Show InChI InChI=1S/C22H28N8OS/c1-16-10-21(30(26-16)20-3-2-17(12-23)13-25-20)28-6-4-27(5-7-28)18-11-19(24-14-18)22(31)29-8-9-32-15-29/h2-3,10,13,18-19,24H,4-9,11,14-15H2,1H3/t18-,19-/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	15	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay				Bioorg Med Chem 20: 5705-19 (2012) Article DOI: 10.1016/j.bmc.2012.08.012 BindingDB Entry DOI: 10.7270/Q2JQ123C
					More data for this Ligand-Target Pair

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