Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50042827   

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))	BDBM50431782 (CHEMBL2347039) Show SMILES CC#CCn1c(nc2ccn(Cc3nc(C)c4ccccc4n3)c2c1=O)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C25H27N7O/c1-3-4-13-32-24(33)23-21(29-25(32)31-12-7-8-18(26)15-31)11-14-30(23)16-22-27-17(2)19-9-5-6-10-20(19)28-22/h5-6,9-11,14,18H,7-8,12-13,15-16,26H2,1-2H3/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Science Curated by ChEMBL					Assay Description Inhibition of human DPP4 using Gly-Pro-AMC as substrate treated with enzyme 10 mins prior to substrate addition measured after 10 mins				Bioorg Med Chem 21: 1749-55 (2013) Article DOI: 10.1016/j.bmc.2013.01.062 BindingDB Entry DOI: 10.7270/Q2R78GMR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50431785 (CHEMBL2347036) Show SMILES CC#CCn1c(nc2ccn(Cc3ccc4ccc(F)cc4n3)c2c1=O)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C25H25FN6O/c1-2-3-12-32-24(33)23-21(29-25(32)31-11-4-5-19(27)15-31)10-13-30(23)16-20-9-7-17-6-8-18(26)14-22(17)28-20/h6-10,13-14,19H,4-5,11-12,15-16,27H2,1H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Science Curated by ChEMBL					Assay Description Inhibition of human DPP4 using Gly-Pro-AMC as substrate treated with enzyme 10 mins prior to substrate addition measured after 10 mins				Bioorg Med Chem 21: 1749-55 (2013) Article DOI: 10.1016/j.bmc.2013.01.062 BindingDB Entry DOI: 10.7270/Q2R78GMR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50431784 (CHEMBL2347037) Show SMILES CC#CCn1c(nc2ccn(Cc3cnc4ccccc4n3)c2c1=O)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C24H25N7O/c1-2-3-12-31-23(32)22-21(28-24(31)30-11-6-7-17(25)15-30)10-13-29(22)16-18-14-26-19-8-4-5-9-20(19)27-18/h4-5,8-10,13-14,17H,6-7,11-12,15-16,25H2,1H3/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Science Curated by ChEMBL					Assay Description Inhibition of human DPP4 using Gly-Pro-AMC as substrate treated with enzyme 10 mins prior to substrate addition measured after 10 mins				Bioorg Med Chem 21: 1749-55 (2013) Article DOI: 10.1016/j.bmc.2013.01.062 BindingDB Entry DOI: 10.7270/Q2R78GMR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50431791 (CHEMBL2346926) Show SMILES CC#CCn1c(nc2ccn(Cc3ccc4ccccc4n3)c2c1=O)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C25H26N6O/c1-2-3-14-31-24(32)23-22(28-25(31)30-13-6-8-19(26)16-30)12-15-29(23)17-20-11-10-18-7-4-5-9-21(18)27-20/h4-5,7,9-12,15,19H,6,8,13-14,16-17,26H2,1H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Science Curated by ChEMBL					Assay Description Inhibition of human DPP4 using Gly-Pro-AMC as substrate treated with enzyme 10 mins prior to substrate addition measured after 10 mins				Bioorg Med Chem 21: 1749-55 (2013) Article DOI: 10.1016/j.bmc.2013.01.062 BindingDB Entry DOI: 10.7270/Q2R78GMR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50431786 (CHEMBL2347035) Show SMILES CC#CCn1c(nc2ccn(Cc3ccc4ccc(Cl)cc4n3)c2c1=O)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C25H25ClN6O/c1-2-3-12-32-24(33)23-21(29-25(32)31-11-4-5-19(27)15-31)10-13-30(23)16-20-9-7-17-6-8-18(26)14-22(17)28-20/h6-10,13-14,19H,4-5,11-12,15-16,27H2,1H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Science Curated by ChEMBL					Assay Description Inhibition of human DPP4 using Gly-Pro-AMC as substrate treated with enzyme 10 mins prior to substrate addition measured after 10 mins				Bioorg Med Chem 21: 1749-55 (2013) Article DOI: 10.1016/j.bmc.2013.01.062 BindingDB Entry DOI: 10.7270/Q2R78GMR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50431788 (CHEMBL2346929) Show SMILES CC#CCn1c(nc2ccn(Cc3ccc4cc(F)ccc4n3)c2c1=O)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C25H25FN6O/c1-2-3-12-32-24(33)23-22(29-25(32)31-11-4-5-19(27)15-31)10-13-30(23)16-20-8-6-17-14-18(26)7-9-21(17)28-20/h6-10,13-14,19H,4-5,11-12,15-16,27H2,1H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Science Curated by ChEMBL					Assay Description Inhibition of human DPP4 using Gly-Pro-AMC as substrate treated with enzyme 10 mins prior to substrate addition measured after 10 mins				Bioorg Med Chem 21: 1749-55 (2013) Article DOI: 10.1016/j.bmc.2013.01.062 BindingDB Entry DOI: 10.7270/Q2R78GMR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50431783 (CHEMBL2347038) Show SMILES CC#CCn1c(nc2ccn(Cc3nc4ccccc4nc3C)c2c1=O)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C25H27N7O/c1-3-4-13-32-24(33)23-21(29-25(32)31-12-7-8-18(26)15-31)11-14-30(23)16-22-17(2)27-19-9-5-6-10-20(19)28-22/h5-6,9-11,14,18H,7-8,12-13,15-16,26H2,1-2H3/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Science Curated by ChEMBL					Assay Description Inhibition of human DPP4 using Gly-Pro-AMC as substrate treated with enzyme 10 mins prior to substrate addition measured after 10 mins				Bioorg Med Chem 21: 1749-55 (2013) Article DOI: 10.1016/j.bmc.2013.01.062 BindingDB Entry DOI: 10.7270/Q2R78GMR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50431793 (CHEMBL2346924) Show SMILES CC#CCn1c(nc2ccn(Cc3nc4ccccc4[nH]3)c2c1=O)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C23H25N7O/c1-2-3-12-30-22(31)21-19(27-23(30)29-11-6-7-16(24)14-29)10-13-28(21)15-20-25-17-8-4-5-9-18(17)26-20/h4-5,8-10,13,16H,6-7,11-12,14-15,24H2,1H3,(H,25,26)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Science Curated by ChEMBL					Assay Description Inhibition of human DPP4 using Gly-Pro-AMC as substrate treated with enzyme 10 mins prior to substrate addition measured after 10 mins				Bioorg Med Chem 21: 1749-55 (2013) Article DOI: 10.1016/j.bmc.2013.01.062 BindingDB Entry DOI: 10.7270/Q2R78GMR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50381853 (CHEMBL2023067) Show SMILES N[C@@H]1CCCN(C1)c1nc2c(Br)c[nH]c2c(=O)n1Cc1ccccc1C#N |r| Show InChI InChI=1S/C19H19BrN6O/c20-15-9-23-17-16(15)24-19(25-7-3-6-14(22)11-25)26(18(17)27)10-13-5-2-1-4-12(13)8-21/h1-2,4-5,9,14,23H,3,6-7,10-11,22H2/t14-/m1/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	44	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Science Curated by ChEMBL					Assay Description Inhibition of human DPP4 using Gly-Pro-AMC as substrate treated with enzyme 10 mins prior to substrate addition measured after 10 mins				Bioorg Med Chem 21: 1749-55 (2013) Article DOI: 10.1016/j.bmc.2013.01.062 BindingDB Entry DOI: 10.7270/Q2R78GMR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50431794 (CHEMBL2346923) Show SMILES CC#CCn1c(nc2ccn(Cc3c[nH]c4ccccc34)c2c1=O)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C24H26N6O/c1-2-3-12-30-23(31)22-21(27-24(30)29-11-6-7-18(25)16-29)10-13-28(22)15-17-14-26-20-9-5-4-8-19(17)20/h4-5,8-10,13-14,18,26H,6-7,11-12,15-16,25H2,1H3/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Science Curated by ChEMBL					Assay Description Inhibition of human DPP4 using Gly-Pro-AMC as substrate treated with enzyme 10 mins prior to substrate addition measured after 10 mins				Bioorg Med Chem 21: 1749-55 (2013) Article DOI: 10.1016/j.bmc.2013.01.062 BindingDB Entry DOI: 10.7270/Q2R78GMR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50431795 (CHEMBL2346922) Show SMILES CC#CCn1c(nc2ccn(Cc3ncccn3)c2c1=O)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C20H23N7O/c1-2-3-11-27-19(28)18-16(24-20(27)26-10-4-6-15(21)13-26)7-12-25(18)14-17-22-8-5-9-23-17/h5,7-9,12,15H,4,6,10-11,13-14,21H2,1H3/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Science Curated by ChEMBL					Assay Description Inhibition of human DPP4 using Gly-Pro-AMC as substrate treated with enzyme 10 mins prior to substrate addition measured after 10 mins				Bioorg Med Chem 21: 1749-55 (2013) Article DOI: 10.1016/j.bmc.2013.01.062 BindingDB Entry DOI: 10.7270/Q2R78GMR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50431792 (CHEMBL2346925) Show SMILES CC#CCn1c(nc2ccn(Cc3ccnc4ccccc34)c2c1=O)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C25H26N6O/c1-2-3-14-31-24(32)23-22(28-25(31)30-13-6-7-19(26)17-30)11-15-29(23)16-18-10-12-27-21-9-5-4-8-20(18)21/h4-5,8-12,15,19H,6-7,13-14,16-17,26H2,1H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Science Curated by ChEMBL					Assay Description Inhibition of human DPP4 using Gly-Pro-AMC as substrate treated with enzyme 10 mins prior to substrate addition measured after 10 mins				Bioorg Med Chem 21: 1749-55 (2013) Article DOI: 10.1016/j.bmc.2013.01.062 BindingDB Entry DOI: 10.7270/Q2R78GMR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50431787 (CHEMBL2346930) Show SMILES CC#CCn1c(nc2ccn(Cc3ccc4cc(C)ccc4n3)c2c1=O)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C26H28N6O/c1-3-4-13-32-25(33)24-23(29-26(32)31-12-5-6-20(27)16-31)11-14-30(24)17-21-9-8-19-15-18(2)7-10-22(19)28-21/h7-11,14-15,20H,5-6,12-13,16-17,27H2,1-2H3/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Science Curated by ChEMBL					Assay Description Inhibition of human DPP4 using Gly-Pro-AMC as substrate treated with enzyme 10 mins prior to substrate addition measured after 10 mins				Bioorg Med Chem 21: 1749-55 (2013) Article DOI: 10.1016/j.bmc.2013.01.062 BindingDB Entry DOI: 10.7270/Q2R78GMR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50431789 (CHEMBL2346928) Show SMILES CC#CCn1c(nc2ccn(Cc3ccc4cc(Cl)ccc4n3)c2c1=O)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C25H25ClN6O/c1-2-3-12-32-24(33)23-22(29-25(32)31-11-4-5-19(27)15-31)10-13-30(23)16-20-8-6-17-14-18(26)7-9-21(17)28-20/h6-10,13-14,19H,4-5,11-12,15-16,27H2,1H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Science Curated by ChEMBL					Assay Description Inhibition of human DPP4 using Gly-Pro-AMC as substrate treated with enzyme 10 mins prior to substrate addition measured after 10 mins				Bioorg Med Chem 21: 1749-55 (2013) Article DOI: 10.1016/j.bmc.2013.01.062 BindingDB Entry DOI: 10.7270/Q2R78GMR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50431790 (CHEMBL2346927) Show SMILES CC#CCn1c(nc2ccn(Cc3ccc4cc(Br)ccc4n3)c2c1=O)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C25H25BrN6O/c1-2-3-12-32-24(33)23-22(29-25(32)31-11-4-5-19(27)15-31)10-13-30(23)16-20-8-6-17-14-18(26)7-9-21(17)28-20/h6-10,13-14,19H,4-5,11-12,15-16,27H2,1H3/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	139	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Science Curated by ChEMBL					Assay Description Inhibition of human DPP4 using Gly-Pro-AMC as substrate treated with enzyme 10 mins prior to substrate addition measured after 10 mins				Bioorg Med Chem 21: 1749-55 (2013) Article DOI: 10.1016/j.bmc.2013.01.062 BindingDB Entry DOI: 10.7270/Q2R78GMR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50431781 (CHEMBL2346919) Show SMILES CC#CCn1c(nc2ccn(C)c2c1=O)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C16H21N5O/c1-3-4-9-21-15(22)14-13(7-10-19(14)2)18-16(21)20-8-5-6-12(17)11-20/h7,10,12H,5-6,8-9,11,17H2,1-2H3/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	212	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Science Curated by ChEMBL					Assay Description Inhibition of human DPP4 using Gly-Pro-AMC as substrate treated with enzyme 10 mins prior to substrate addition measured after 10 mins				Bioorg Med Chem 21: 1749-55 (2013) Article DOI: 10.1016/j.bmc.2013.01.062 BindingDB Entry DOI: 10.7270/Q2R78GMR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50431796 (CHEMBL2346921) Show SMILES CC#CCn1c(nc2cc[nH]c2c1=O)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C15H19N5O/c1-2-3-9-20-14(21)13-12(6-7-17-13)18-15(20)19-8-4-5-11(16)10-19/h6-7,11,17H,4-5,8-10,16H2,1H3/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Science Curated by ChEMBL					Assay Description Inhibition of human DPP4 using Gly-Pro-AMC as substrate treated with enzyme 10 mins prior to substrate addition measured after 10 mins				Bioorg Med Chem 21: 1749-55 (2013) Article DOI: 10.1016/j.bmc.2013.01.062 BindingDB Entry DOI: 10.7270/Q2R78GMR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50431797 (CHEMBL2346920) Show SMILES CC#CCn1c(nc2c(Br)c[nH]c2c1=O)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C15H18BrN5O/c1-2-3-7-21-14(22)13-12(11(16)8-18-13)19-15(21)20-6-4-5-10(17)9-20/h8,10,18H,4-7,9,17H2,1H3/t10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Science Curated by ChEMBL					Assay Description Inhibition of human DPP4 using Gly-Pro-AMC as substrate treated with enzyme 10 mins prior to substrate addition measured after 10 mins				Bioorg Med Chem 21: 1749-55 (2013) Article DOI: 10.1016/j.bmc.2013.01.062 BindingDB Entry DOI: 10.7270/Q2R78GMR
					More data for this Ligand-Target Pair