Compile Data Set for Download or QSAR

Found 104 hits with Last Name = 'kiuchi' and Initial = 's'   

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 (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))	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 (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 (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))	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))	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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50543391 (CHEMBL4638277) Show SMILES Cn1cc(cc(NC(=O)[C@H]2C[C@H]2F)c1=O)-c1cc(F)cc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C |r| Show InChI InChI=1S/C29H27F3N4O4/c1-29(2,3)16-5-14-11-33-36(28(40)25(14)22(32)7-16)24-9-17(30)8-18(20(24)13-37)15-6-23(27(39)35(4)12-15)34-26(38)19-10-21(19)31/h5-9,11-12,19,21,37H,10,13H2,1-4H3,(H,34,38)/t19-,21+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood assessed as reduction in autophosphorylation at Y223 residue incubated for 1 hr by mesoscale assay				ACS Med Chem Lett 11: 1588-1597 (2020) Article DOI: 10.1021/acsmedchemlett.0c00249 BindingDB Entry DOI: 10.7270/Q23J3HJK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50543390 (CHEMBL4643319) Show SMILES Cn1cc(cc(NC(=O)[C@@H]2C[C@@H]2F)c1=O)-c1cc(F)cc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C |r| Show InChI InChI=1S/C29H27F3N4O4/c1-29(2,3)16-5-14-11-33-36(28(40)25(14)22(32)7-16)24-9-17(30)8-18(20(24)13-37)15-6-23(27(39)35(4)12-15)34-26(38)19-10-21(19)31/h5-9,11-12,19,21,37H,10,13H2,1-4H3,(H,34,38)/t19-,21+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood assessed as reduction in autophosphorylation at Y223 residue incubated for 1 hr by mesoscale assay				ACS Med Chem Lett 11: 1588-1597 (2020) Article DOI: 10.1021/acsmedchemlett.0c00249 BindingDB Entry DOI: 10.7270/Q23J3HJK
					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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50543377 (CHEMBL4644207) Show SMILES Cn1cc(cc(NC(=O)[C@@H]2C[C@@H]2F)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO |r| Show InChI InChI=1S/C28H30FN5O4/c1-28(2)11-15-9-22-27(38)34(7-6-33(22)23(15)12-28)24-19(14-35)17(4-5-30-24)16-8-21(26(37)32(3)13-16)31-25(36)18-10-20(18)29/h4-5,8-9,13,18,20,35H,6-7,10-12,14H2,1-3H3,(H,31,36)/t18-,20+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood assessed as reduction in autophosphorylation at Y223 residue incubated for 1 hr by mesoscale assay				ACS Med Chem Lett 11: 1588-1597 (2020) Article DOI: 10.1021/acsmedchemlett.0c00249 BindingDB Entry DOI: 10.7270/Q23J3HJK
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50244440 (CHEMBL4065122) Show SMILES C[C@H]1CN(CCN1c1ccc(Nc2cc(cn(C)c2=O)-c2ccnc(N3CCn4c5CC(C)(C)Cc5cc4C3=O)c2CO)nc1)C1COC1 |r| Show InChI InChI=1S/C37H44N8O4/c1-23-18-42(27-21-49-22-27)9-10-43(23)26-5-6-33(39-17-26)40-30-13-25(19-41(4)35(30)47)28-7-8-38-34(29(28)20-46)45-12-11-44-31(36(45)48)14-24-15-37(2,3)16-32(24)44/h5-8,13-14,17,19,23,27,46H,9-12,15-16,18,20-22H2,1-4H3,(H,39,40)/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood assessed as reduction in autophosphorylation at Y223 residue incubated for 1 hr by mesoscale assay				ACS Med Chem Lett 11: 1588-1597 (2020) Article DOI: 10.1021/acsmedchemlett.0c00249 BindingDB Entry DOI: 10.7270/Q23J3HJK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50543383 (CHEMBL4634904) Show SMILES Cn1cc(cc(NC(=O)[C@@H]2C[C@@H]2F)c1=O)-c1ccnc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C |r| Show InChI InChI=1S/C28H27F2N5O4/c1-28(2,3)16-7-14-11-32-35(27(39)23(14)21(30)9-16)24-19(13-36)17(5-6-31-24)15-8-22(26(38)34(4)12-15)33-25(37)18-10-20(18)29/h5-9,11-12,18,20,36H,10,13H2,1-4H3,(H,33,37)/t18-,20+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood assessed as reduction in autophosphorylation at Y223 residue incubated for 1 hr by mesoscale assay				ACS Med Chem Lett 11: 1588-1597 (2020) Article DOI: 10.1021/acsmedchemlett.0c00249 BindingDB Entry DOI: 10.7270/Q23J3HJK
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50543382 (CHEMBL4648439) Show SMILES Cn1cc(cc(NC(=O)[C@H]2C[C@H]2F)c1=O)-c1ccnc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C |r| Show InChI InChI=1S/C28H27F2N5O4/c1-28(2,3)16-7-14-11-32-35(27(39)23(14)21(30)9-16)24-19(13-36)17(5-6-31-24)15-8-22(26(38)34(4)12-15)33-25(37)18-10-20(18)29/h5-9,11-12,18,20,36H,10,13H2,1-4H3,(H,33,37)/t18-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood assessed as reduction in autophosphorylation at Y223 residue incubated for 1 hr by mesoscale assay				ACS Med Chem Lett 11: 1588-1597 (2020) Article DOI: 10.1021/acsmedchemlett.0c00249 BindingDB Entry DOI: 10.7270/Q23J3HJK
					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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50543378 (CHEMBL4644448) Show SMILES Cn1cc(cc(NC(=O)[C@H]2C[C@H]2F)c1=O)-c1ccnc(N2CCn3c4CC(C)(C)Cc4cc3C2=O)c1CO |r| Show InChI InChI=1S/C28H30FN5O4/c1-28(2)11-15-9-22-27(38)34(7-6-33(22)23(15)12-28)24-19(14-35)17(4-5-30-24)16-8-21(26(37)32(3)13-16)31-25(36)18-10-20(18)29/h4-5,8-9,13,18,20,35H,6-7,10-12,14H2,1-3H3,(H,31,36)/t18-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood assessed as reduction in autophosphorylation at Y223 residue incubated for 1 hr by mesoscale assay				ACS Med Chem Lett 11: 1588-1597 (2020) Article DOI: 10.1021/acsmedchemlett.0c00249 BindingDB Entry DOI: 10.7270/Q23J3HJK
					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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50543381 (CHEMBL4641507) Show SMILES Cn1cc(cc(NC(=O)C2CC2)c1=O)-c1ccnc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C Show InChI InChI=1S/C28H28FN5O4/c1-28(2,3)18-9-16-12-31-34(27(38)23(16)21(29)11-18)24-20(14-35)19(7-8-30-24)17-10-22(26(37)33(4)13-17)32-25(36)15-5-6-15/h7-13,15,35H,5-6,14H2,1-4H3,(H,32,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood assessed as reduction in autophosphorylation at Y223 residue incubated for 1 hr by mesoscale assay				ACS Med Chem Lett 11: 1588-1597 (2020) Article DOI: 10.1021/acsmedchemlett.0c00249 BindingDB Entry DOI: 10.7270/Q23J3HJK
					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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50543387 (CHEMBL4646964) Show SMILES Cn1nc(cc(NC(=O)[C@@H]2C[C@@H]2F)c1=O)-c1ccnc(c1CO)-n1ncc2cc(cc(F)c2c1=O)C(C)(C)C |r| Show InChI InChI=1S/C27H26F2N6O4/c1-27(2,3)14-7-13-11-31-35(26(39)22(13)19(29)8-14)23-17(12-36)15(5-6-30-23)20-10-21(25(38)34(4)33-20)32-24(37)16-9-18(16)28/h5-8,10-11,16,18,36H,9,12H2,1-4H3,(H,32,37)/t16-,18+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood assessed as reduction in autophosphorylation at Y223 residue incubated for 1 hr by mesoscale assay				ACS Med Chem Lett 11: 1588-1597 (2020) Article DOI: 10.1021/acsmedchemlett.0c00249 BindingDB Entry DOI: 10.7270/Q23J3HJK
					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

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