Compile Data Set for Download or QSAR

Found 306 hits with Last Name = 'sinha-roy' and Initial = 'r'   

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))	BDBM50003020 (MK-3102 | OMARIGLIPTIN | US10155775, Omarigliptin ...) Show SMILES CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r| Show InChI InChI=1S/C17H20F2N4O3S/c1-27(24,25)23-7-10-6-22(8-16(10)21-23)12-5-15(20)17(26-9-12)13-4-11(18)2-3-14(13)19/h2-4,7,12,15,17H,5-6,8-9,20H2,1H3/t12-,15+,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Competitive reversible inhibition of DPP4 (unknown origin)				J Med Chem 57: 3205-12 (2014) Article DOI: 10.1021/jm401992e BindingDB Entry DOI: 10.7270/Q2WD423H
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50170939 (CHEMBL3806052) Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2nn3nccnc3c2C1 |r| Show InChI InChI=1S/C18H18F2N6O/c19-10-1-2-14(20)12(5-10)17-15(21)6-11(9-27-17)25-7-13-16(8-25)24-26-18(13)22-3-4-23-26/h1-5,11,15,17H,6-9,21H2/t11-,15+,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 26: 2622-6 (2016) Article DOI: 10.1016/j.bmcl.2016.04.020 BindingDB Entry DOI: 10.7270/Q2Z321JP
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50170919 (CHEMBL3805966) Show SMILES Cc1cc2ncc3CN(Cc3n2n1)[C@H]1CC[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C21H22F3N5/c1-11-4-21-26-8-12-9-28(10-20(12)29(21)27-11)13-2-3-14(19(25)5-13)15-6-17(23)18(24)7-16(15)22/h4,6-8,13-14,19H,2-3,5,9-10,25H2,1H3/t13-,14+,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 26: 2622-6 (2016) Article DOI: 10.1016/j.bmcl.2016.04.020 BindingDB Entry DOI: 10.7270/Q2Z321JP
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50170922 (CHEMBL3805629) Show SMILES Cc1nc2ncc3CN(Cc3n2n1)[C@H]1CC[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H21F3N6/c1-10-26-20-25-7-11-8-28(9-19(11)29(20)27-10)12-2-3-13(18(24)4-12)14-5-16(22)17(23)6-15(14)21/h5-7,12-13,18H,2-4,8-9,24H2,1H3/t12-,13+,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	0.230	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 26: 2622-6 (2016) Article DOI: 10.1016/j.bmcl.2016.04.020 BindingDB Entry DOI: 10.7270/Q2Z321JP
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50170923 (CHEMBL3806041) Show SMILES N[C@H]1C[C@H](CC[C@@H]1c1cc(F)c(F)cc1F)N1Cc2cnc3nnc(C4CC4)n3c2C1 |r| Show InChI InChI=1S/C22H23F3N6/c23-16-7-18(25)17(24)6-15(16)14-4-3-13(5-19(14)26)30-9-12-8-27-22-29-28-21(11-1-2-11)31(22)20(12)10-30/h6-8,11,13-14,19H,1-5,9-10,26H2/t13-,14+,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	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 26: 2622-6 (2016) Article DOI: 10.1016/j.bmcl.2016.04.020 BindingDB Entry DOI: 10.7270/Q2Z321JP
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM13528 ((3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)buta...) Show SMILES N[C@@H](CC(=O)N1CCCNC(=O)[C@H]1Cn1cccn1)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C19H22F3N5O2/c20-14-10-16(22)15(21)8-12(14)7-13(23)9-18(28)27-6-1-3-24-19(29)17(27)11-26-5-2-4-25-26/h2,4-5,8,10,13,17H,1,3,6-7,9,11,23H2,(H,24,29)/t13-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	0.290	n/a	n/a	n/a	n/a	7.5	37
Merck Research Laboratories					Assay Description The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...				Bioorg Med Chem Lett 17: 49-52 (2007) Article DOI: 10.1016/j.bmcl.2006.09.099 BindingDB Entry DOI: 10.7270/Q2F47MC2
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM13527 ((3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)buta...) Show SMILES N[C@@H](CC(=O)N1CCCNC(=O)[C@H]1Cc1ccccn1)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C21H23F3N4O2/c22-16-12-18(24)17(23)9-13(16)8-14(25)10-20(29)28-7-3-6-27-21(30)19(28)11-15-4-1-2-5-26-15/h1-2,4-5,9,12,14,19H,3,6-8,10-11,25H2,(H,27,30)/t14-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.490	n/a	n/a	n/a	n/a	7.5	37
Merck Research Laboratories					Assay Description The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...				Bioorg Med Chem Lett 17: 49-52 (2007) Article DOI: 10.1016/j.bmcl.2006.09.099 BindingDB Entry DOI: 10.7270/Q2F47MC2
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50170929 (CHEMBL3805751) Show SMILES Cc1ccn2nc3CN(Cc3c2n1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H20F3N5O/c1-10-2-3-28-20(25-10)13-7-27(8-18(13)26-28)11-4-17(24)19(29-9-11)12-5-15(22)16(23)6-14(12)21/h2-3,5-6,11,17,19H,4,7-9,24H2,1H3/t11-,17+,19-/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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 26: 2622-6 (2016) Article DOI: 10.1016/j.bmcl.2016.04.020 BindingDB Entry DOI: 10.7270/Q2Z321JP
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50170953 (CHEMBL3805154) Show SMILES Cc1cc(O)n2nc3CN(Cc3c2n1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H20F3N5O2/c1-9-2-18(29)28-20(25-9)12-6-27(7-17(12)26-28)10-3-16(24)19(30-8-10)11-4-14(22)15(23)5-13(11)21/h2,4-5,10,16,19,29H,3,6-8,24H2,1H3/t10-,16+,19-/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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 26: 2622-6 (2016) Article DOI: 10.1016/j.bmcl.2016.04.020 BindingDB Entry DOI: 10.7270/Q2Z321JP
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50170921 (CHEMBL3806023) Show SMILES Cc1nnc2ncc3CN(Cc3n12)[C@H]1CC[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H21F3N6/c1-10-26-27-20-25-7-11-8-28(9-19(11)29(10)20)12-2-3-13(18(24)4-12)14-5-16(22)17(23)6-15(14)21/h5-7,12-13,18H,2-4,8-9,24H2,1H3/t12-,13+,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	0.560	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 26: 2622-6 (2016) Article DOI: 10.1016/j.bmcl.2016.04.020 BindingDB Entry DOI: 10.7270/Q2Z321JP
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50170957 (CHEMBL3806157) Show SMILES Cc1cc2ncc3CN(Cc3n2n1)[C@H]1CC[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r| Show InChI InChI=1S/C21H23F2N5/c1-12-6-21-25-9-13-10-27(11-20(13)28(21)26-12)15-3-4-16(19(24)8-15)17-7-14(22)2-5-18(17)23/h2,5-7,9,15-16,19H,3-4,8,10-11,24H2,1H3/t15-,16+,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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 26: 2622-6 (2016) Article DOI: 10.1016/j.bmcl.2016.04.020 BindingDB Entry DOI: 10.7270/Q2Z321JP
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50170952 (CHEMBL3806310) Show SMILES Cc1cc(O)nc2c3CN(Cc3nn12)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H20F3N5O2/c1-9-2-18(29)25-20-12-6-27(7-17(12)26-28(9)20)10-3-16(24)19(30-8-10)11-4-14(22)15(23)5-13(11)21/h2,4-5,10,16,19H,3,6-8,24H2,1H3,(H,25,29)/t10-,16+,19-/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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 26: 2622-6 (2016) Article DOI: 10.1016/j.bmcl.2016.04.020 BindingDB Entry DOI: 10.7270/Q2Z321JP
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50170934 (CHEMBL3806021) Show SMILES Cc1ccnc2c3CN(Cc3nn12)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H20F3N5O/c1-10-2-3-25-20-13-7-27(8-18(13)26-28(10)20)11-4-17(24)19(29-9-11)12-5-15(22)16(23)6-14(12)21/h2-3,5-6,11,17,19H,4,7-9,24H2,1H3/t11-,17+,19-/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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 26: 2622-6 (2016) Article DOI: 10.1016/j.bmcl.2016.04.020 BindingDB Entry DOI: 10.7270/Q2Z321JP
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50212925 ((1S,2R,5S)-5-(5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)...) Show SMILES N[C@H]1C[C@H](CC[C@@H]1c1cc(F)c(F)cc1F)N1Cc2cncnc2C1 Show InChI InChI=1S/C18H19F3N4/c19-14-5-16(21)15(20)4-13(14)12-2-1-11(3-17(12)22)25-7-10-6-23-9-24-18(10)8-25/h4-6,9,11-12,17H,1-3,7-8,22H2/t11-,12+,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	0.670	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4				Bioorg Med Chem Lett 17: 3877-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.106 BindingDB Entry DOI: 10.7270/Q20K2884
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50170920 (CHEMBL3806029) Show SMILES Cc1cc2ncc3CN(Cc3n2n1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H20F3N5O/c1-10-2-19-25-6-11-7-27(8-18(11)28(19)26-10)12-3-17(24)20(29-9-12)13-4-15(22)16(23)5-14(13)21/h2,4-6,12,17,20H,3,7-9,24H2,1H3/t12-,17+,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 26: 2622-6 (2016) Article DOI: 10.1016/j.bmcl.2016.04.020 BindingDB Entry DOI: 10.7270/Q2Z321JP
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50170956 (CHEMBL3805294) Show SMILES Cc1cc2ncc3CN(Cc3n2n1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r| Show InChI InChI=1S/C20H21F2N5O/c1-11-4-19-24-7-12-8-26(9-18(12)27(19)25-11)14-6-17(23)20(28-10-14)15-5-13(21)2-3-16(15)22/h2-5,7,14,17,20H,6,8-10,23H2,1H3/t14-,17+,20-/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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 26: 2622-6 (2016) Article DOI: 10.1016/j.bmcl.2016.04.020 BindingDB Entry DOI: 10.7270/Q2Z321JP
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50170927 (CHEMBL3806216) Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2nn3cccnc3c2C1 |r| Show InChI InChI=1S/C19H19F2N5O/c20-11-2-3-15(21)13(6-11)18-16(22)7-12(10-27-18)25-8-14-17(9-25)24-26-5-1-4-23-19(14)26/h1-6,12,16,18H,7-10,22H2/t12-,16+,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 26: 2622-6 (2016) Article DOI: 10.1016/j.bmcl.2016.04.020 BindingDB Entry DOI: 10.7270/Q2Z321JP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM13526 ((3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)buta...) Show SMILES N[C@@H](CC(=O)N1CCCNC(=O)[C@H]1Cc1ccccc1)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C22H24F3N3O2/c23-17-13-19(25)18(24)11-15(17)10-16(26)12-21(29)28-8-4-7-27-22(30)20(28)9-14-5-2-1-3-6-14/h1-3,5-6,11,13,16,20H,4,7-10,12,26H2,(H,27,30)/t16-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.910	n/a	n/a	n/a	n/a	7.5	37
Merck Research Laboratories					Assay Description The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...				Bioorg Med Chem Lett 17: 49-52 (2007) Article DOI: 10.1016/j.bmcl.2006.09.099 BindingDB Entry DOI: 10.7270/Q2F47MC2
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50170936 (CHEMBL3805179) Show SMILES N[C@H]1C[C@H](CC[C@@H]1c1cc(F)c(F)cc1F)N1Cc2nn3c(ccnc3c2C1)C(F)(F)F |r| Show InChI InChI=1S/C21H19F6N5/c22-14-7-16(24)15(23)6-12(14)11-2-1-10(5-17(11)28)31-8-13-18(9-31)30-32-19(21(25,26)27)3-4-29-20(13)32/h3-4,6-7,10-11,17H,1-2,5,8-9,28H2/t10-,11+,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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 26: 2622-6 (2016) Article DOI: 10.1016/j.bmcl.2016.04.020 BindingDB Entry DOI: 10.7270/Q2Z321JP
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50170959 (CHEMBL3805226) Show SMILES Cc1cc2nc3CN(Cc3cn2n1)[C@H]1CC[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r| Show InChI InChI=1S/C21H23F2N5/c1-12-6-21-25-20-11-27(9-13(20)10-28(21)26-12)15-3-4-16(19(24)8-15)17-7-14(22)2-5-18(17)23/h2,5-7,10,15-16,19H,3-4,8-9,11,24H2,1H3/t15-,16+,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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 26: 2622-6 (2016) Article DOI: 10.1016/j.bmcl.2016.04.020 BindingDB Entry DOI: 10.7270/Q2Z321JP
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50170931 (CHEMBL3805871) Show SMILES N[C@H]1C[C@H](CC[C@@H]1c1cc(F)c(F)cc1F)N1Cc2nn3ccc(nc3c2C1)C(F)(F)F |r| Show InChI InChI=1S/C21H19F6N5/c22-14-7-16(24)15(23)6-12(14)11-2-1-10(5-17(11)28)31-8-13-18(9-31)30-32-4-3-19(21(25,26)27)29-20(13)32/h3-4,6-7,10-11,17H,1-2,5,8-9,28H2/t10-,11+,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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 26: 2622-6 (2016) Article DOI: 10.1016/j.bmcl.2016.04.020 BindingDB Entry DOI: 10.7270/Q2Z321JP
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50170955 (CHEMBL3805937) Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)c(F)cc1F)N1Cc2nn3c(ccnc3c2C1)C(F)(F)F |r| Show InChI InChI=1S/C20H17F6N5O/c21-12-5-14(23)13(22)4-10(12)18-15(27)3-9(8-32-18)30-6-11-16(7-30)29-31-17(20(24,25)26)1-2-28-19(11)31/h1-2,4-5,9,15,18H,3,6-8,27H2/t9-,15+,18-/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	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 26: 2622-6 (2016) Article DOI: 10.1016/j.bmcl.2016.04.020 BindingDB Entry DOI: 10.7270/Q2Z321JP
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM15553 ((3R,7R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)b...) Show SMILES C[C@@H]1CCN([C@H](Cc2ccccc2C)C(=O)N1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C24H28F3N3O2/c1-14-5-3-4-6-16(14)11-22-24(32)29-15(2)7-8-30(22)23(31)12-18(28)9-17-10-20(26)21(27)13-19(17)25/h3-6,10,13,15,18,22H,7-9,11-12,28H2,1-2H3,(H,29,32)/t15-,18-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.49	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...				Bioorg Med Chem Lett 17: 1903-7 (2007) Article DOI: 10.1016/j.bmcl.2007.01.039 BindingDB Entry DOI: 10.7270/Q2QZ2870
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50170930 (CHEMBL3805400) Show SMILES Cc1ccn2nc3CN(Cc3c2n1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r| Show InChI InChI=1S/C20H21F2N5O/c1-11-4-5-27-20(24-11)15-8-26(9-18(15)25-27)13-7-17(23)19(28-10-13)14-6-12(21)2-3-16(14)22/h2-6,13,17,19H,7-10,23H2,1H3/t13-,17+,19-/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	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 26: 2622-6 (2016) Article DOI: 10.1016/j.bmcl.2016.04.020 BindingDB Entry DOI: 10.7270/Q2Z321JP
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50170932 (CHEMBL3805502) Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)c(F)cc1F)N1Cc2nn3ccc(nc3c2C1)C(F)(F)F |r| Show InChI InChI=1S/C20H17F6N5O/c21-12-5-14(23)13(22)4-10(12)18-15(27)3-9(8-32-18)30-6-11-16(7-30)29-31-2-1-17(20(24,25)26)28-19(11)31/h1-2,4-5,9,15,18H,3,6-8,27H2/t9-,15+,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 26: 2622-6 (2016) Article DOI: 10.1016/j.bmcl.2016.04.020 BindingDB Entry DOI: 10.7270/Q2Z321JP
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50003020 (MK-3102 | OMARIGLIPTIN | US10155775, Omarigliptin ...) Show SMILES CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r| Show InChI InChI=1S/C17H20F2N4O3S/c1-27(24,25)23-7-10-6-22(8-16(10)21-23)12-5-15(20)17(26-9-12)13-4-11(18)2-3-14(13)19/h2-4,7,12,15,17H,5-6,8-9,20H2,1H3/t12-,15+,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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
Merck & Co., Inc. Curated by ChEMBL					Assay Description Competitive reversible inhibition of DPP4 (unknown origin)				J Med Chem 57: 3205-12 (2014) Article DOI: 10.1021/jm401992e BindingDB Entry DOI: 10.7270/Q2WD423H
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50170924 (CHEMBL3805346) Show SMILES N[C@H]1C[C@H](CC[C@@H]1c1cc(F)c(F)cc1F)N1Cc2cnc3nc(nn3c2C1)C1CC1 |r| Show InChI InChI=1S/C22H23F3N6/c23-16-7-18(25)17(24)6-15(16)14-4-3-13(5-19(14)26)30-9-12-8-27-22-28-21(11-1-2-11)29-31(22)20(12)10-30/h6-8,11,13-14,19H,1-5,9-10,26H2/t13-,14+,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	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 26: 2622-6 (2016) Article DOI: 10.1016/j.bmcl.2016.04.020 BindingDB Entry DOI: 10.7270/Q2Z321JP
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50170954 (CHEMBL3804996) Show SMILES Cc1cc(nc2c3CN(Cc3nn12)[C@H]1CC[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F)C(F)(F)F |r| Show InChI InChI=1S/C22H21F6N5/c1-10-4-20(22(26,27)28)30-21-14-8-32(9-19(14)31-33(10)21)11-2-3-12(18(29)5-11)13-6-16(24)17(25)7-15(13)23/h4,6-7,11-12,18H,2-3,5,8-9,29H2,1H3/t11-,12+,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	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 26: 2622-6 (2016) Article DOI: 10.1016/j.bmcl.2016.04.020 BindingDB Entry DOI: 10.7270/Q2Z321JP
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM13525 ((3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)buta...) Show SMILES N[C@@H](CC(=O)N1CCCNC(=O)[C@H]1CC(F)(F)F)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C17H19F6N3O2/c18-11-7-13(20)12(19)5-9(11)4-10(24)6-15(27)26-3-1-2-25-16(28)14(26)8-17(21,22)23/h5,7,10,14H,1-4,6,8,24H2,(H,25,28)/t10-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	7.5	37
Merck Research Laboratories					Assay Description The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...				Bioorg Med Chem Lett 17: 49-52 (2007) Article DOI: 10.1016/j.bmcl.2006.09.099 BindingDB Entry DOI: 10.7270/Q2F47MC2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM15554 ((3R,7R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)b...) Show SMILES C[C@@H]1CCN([C@H](Cc2ccccc2F)C(=O)N1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C23H25F4N3O2/c1-13-6-7-30(21(23(32)29-13)10-14-4-2-3-5-17(14)24)22(31)11-16(28)8-15-9-19(26)20(27)12-18(15)25/h2-5,9,12-13,16,21H,6-8,10-11,28H2,1H3,(H,29,32)/t13-,16-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.77	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...				Bioorg Med Chem Lett 17: 1903-7 (2007) Article DOI: 10.1016/j.bmcl.2007.01.039 BindingDB Entry DOI: 10.7270/Q2QZ2870
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50170935 (CHEMBL3804950) Show SMILES Cc1ccnc2c3CN(Cc3nn12)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F |r| Show InChI InChI=1S/C20H21F2N5O/c1-11-4-5-24-20-15-8-26(9-18(15)25-27(11)20)13-7-17(23)19(28-10-13)14-6-12(21)2-3-16(14)22/h2-6,13,17,19H,7-10,23H2,1H3/t13-,17+,19-/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	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 26: 2622-6 (2016) Article DOI: 10.1016/j.bmcl.2016.04.020 BindingDB Entry DOI: 10.7270/Q2Z321JP
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50170940 (CHEMBL3805353) Show SMILES N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1Cc2nn3cncnc3c2C1 |r| Show InChI InChI=1S/C18H18F2N6O/c19-10-1-2-14(20)12(3-10)17-15(21)4-11(7-27-17)25-5-13-16(6-25)24-26-9-22-8-23-18(13)26/h1-3,8-9,11,15,17H,4-7,21H2/t11-,15+,17-/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	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 26: 2622-6 (2016) Article DOI: 10.1016/j.bmcl.2016.04.020 BindingDB Entry DOI: 10.7270/Q2Z321JP
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50170926 (CHEMBL3806003) Show SMILES N[C@H]1C[C@H](CC[C@@H]1c1cc(F)c(F)cc1F)N1Cc2nn3cccnc3c2C1 |r| Show InChI InChI=1S/C20H20F3N5/c21-15-8-17(23)16(22)7-13(15)12-3-2-11(6-18(12)24)27-9-14-19(10-27)26-28-5-1-4-25-20(14)28/h1,4-5,7-8,11-12,18H,2-3,6,9-10,24H2/t11-,12+,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	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 26: 2622-6 (2016) Article DOI: 10.1016/j.bmcl.2016.04.020 BindingDB Entry DOI: 10.7270/Q2Z321JP
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50212928 ((1S,2R,5S)-5-(2-cyclopropyl-5H-pyrrolo[3,4-d]pyrim...) Show SMILES N[C@H]1C[C@H](CC[C@@H]1c1cc(F)c(F)cc1F)N1Cc2cnc(nc2C1)C1CC1 Show InChI InChI=1S/C21H23F3N4/c22-16-7-18(24)17(23)6-15(16)14-4-3-13(5-19(14)25)28-9-12-8-26-21(11-1-2-11)27-20(12)10-28/h6-8,11,13-14,19H,1-5,9-10,25H2/t13-,14+,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	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4				Bioorg Med Chem Lett 17: 3877-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.106 BindingDB Entry DOI: 10.7270/Q20K2884
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM15534 ((3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)buta...) Show SMILES C[C@H]1N(CCCN(C)C1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C17H22F3N3O2/c1-10-17(25)22(2)4-3-5-23(10)16(24)8-12(21)6-11-7-14(19)15(20)9-13(11)18/h7,9-10,12H,3-6,8,21H2,1-2H3/t10-,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	7.5	37
Merck Research Laboratories					Assay Description The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...				Bioorg Med Chem Lett 17: 1903-7 (2007) Article DOI: 10.1016/j.bmcl.2007.01.039 BindingDB Entry DOI: 10.7270/Q2QZ2870
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM13519 ((3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)buta...) Show SMILES C[C@H]1N(CCCNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C16H20F3N3O2/c1-9-16(24)21-3-2-4-22(9)15(23)7-11(20)5-10-6-13(18)14(19)8-12(10)17/h6,8-9,11H,2-5,7,20H2,1H3,(H,21,24)/t9-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	7.5	37
Merck Research Laboratories					Assay Description The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...				Bioorg Med Chem Lett 17: 49-52 (2007) Article DOI: 10.1016/j.bmcl.2006.09.099 BindingDB Entry DOI: 10.7270/Q2F47MC2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM13519 ((3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)buta...) Show SMILES C[C@H]1N(CCCNC1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C16H20F3N3O2/c1-9-16(24)21-3-2-4-22(9)15(23)7-11(20)5-10-6-13(18)14(19)8-12(10)17/h6,8-9,11H,2-5,7,20H2,1H3,(H,21,24)/t9-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	7.5	37
Merck Research Laboratories					Assay Description The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...				Bioorg Med Chem Lett 17: 1903-7 (2007) Article DOI: 10.1016/j.bmcl.2007.01.039 BindingDB Entry DOI: 10.7270/Q2QZ2870
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50212926 ((1S,2R,5S)-5-(isoindolin-2-yl)-2-(2,4,5-trifluorop...) Show SMILES N[C@H]1C[C@H](CC[C@@H]1c1cc(F)c(F)cc1F)N1Cc2ccccc2C1 Show InChI InChI=1S/C20H21F3N2/c21-17-9-19(23)18(22)8-16(17)15-6-5-14(7-20(15)24)25-10-12-3-1-2-4-13(12)11-25/h1-4,8-9,14-15,20H,5-7,10-11,24H2/t14-,15+,20-/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	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4				Bioorg Med Chem Lett 17: 3877-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.106 BindingDB Entry DOI: 10.7270/Q20K2884
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM13515 ((3R)-3-amino-4-(2,5-difluorophenyl)-1-[(8R)-8-meth...) Show SMILES C[C@H]1N(CCn2c1nnc2C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r| Show InChI InChI=1S/C17H18F5N5O/c1-9-15-24-25-16(17(20,21)22)27(15)5-4-26(9)14(28)8-12(23)7-10-6-11(18)2-3-13(10)19/h2-3,6,9,12H,4-5,7-8,23H2,1H3/t9-,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	7.5	37
Merck Research Laboratories					Assay Description The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...				Bioorg Med Chem Lett 17: 49-52 (2007) Article DOI: 10.1016/j.bmcl.2006.09.099 BindingDB Entry DOI: 10.7270/Q2F47MC2
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50170925 (CHEMBL3806026) Show SMILES N[C@H]1C[C@H](CC[C@@H]1c1cc(F)ccc1F)N1Cc2nn3cccnc3c2C1 |r| Show InChI InChI=1S/C20H21F2N5/c21-12-2-5-17(22)15(8-12)14-4-3-13(9-18(14)23)26-10-16-19(11-26)25-27-7-1-6-24-20(16)27/h1-2,5-8,13-14,18H,3-4,9-11,23H2/t13-,14+,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	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 26: 2622-6 (2016) Article DOI: 10.1016/j.bmcl.2016.04.020 BindingDB Entry DOI: 10.7270/Q2Z321JP
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Mus musculus)	BDBM50210527 ((1S,2R,5S)-5-(3-(trifluoromethyl)-5,6-dihydroimida...) Show SMILES N[C@H]1C[C@H](CCC1c1cc(F)c(F)cc1F)N1CCn2c(C1)ncc2C(F)(F)F |w:6.7| Show InChI InChI=1S/C19H20F6N4/c20-13-7-15(22)14(21)6-12(13)11-2-1-10(5-16(11)26)28-3-4-29-17(19(23,24)25)8-27-18(29)9-28/h6-8,10-11,16H,1-5,9,26H2/t10-,11?,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mouse DPP4				Bioorg Med Chem Lett 17: 3384-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.095 BindingDB Entry DOI: 10.7270/Q2NK3DQW
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM15538 ((3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)buta...) Show SMILES C[C@H]1N(CCCN(C2CC2)C1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C19H24F3N3O2/c1-11-19(27)25(14-3-4-14)6-2-5-24(11)18(26)9-13(23)7-12-8-16(21)17(22)10-15(12)20/h8,10-11,13-14H,2-7,9,23H2,1H3/t11-,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	7.5	37
Merck Research Laboratories					Assay Description The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...				Bioorg Med Chem Lett 17: 1903-7 (2007) Article DOI: 10.1016/j.bmcl.2007.01.039 BindingDB Entry DOI: 10.7270/Q2QZ2870
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50170960 (CHEMBL3804940) Show SMILES Cc1ccn2nc3CN(Cc3c2n1)[C@@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H20F3N5O/c1-10-2-3-28-20(25-10)13-7-27(8-18(13)26-28)11-4-17(24)19(29-9-11)12-5-15(22)16(23)6-14(12)21/h2-3,5-6,11,17,19H,4,7-9,24H2,1H3/t11-,17-,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	8.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 26: 2622-6 (2016) Article DOI: 10.1016/j.bmcl.2016.04.020 BindingDB Entry DOI: 10.7270/Q2Z321JP
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM15532 ((3R)-4-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoy...) Show SMILES C[C@H]1N(CCCN(C2CC2)C1=O)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r| Show InChI InChI=1S/C19H25F2N3O2/c1-12-19(26)24(16-4-5-16)8-2-7-23(12)18(25)11-15(22)10-13-9-14(20)3-6-17(13)21/h3,6,9,12,15-16H,2,4-5,7-8,10-11,22H2,1H3/t12-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	7.5	37
Merck Research Laboratories					Assay Description The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...				Bioorg Med Chem Lett 17: 1903-7 (2007) Article DOI: 10.1016/j.bmcl.2007.01.039 BindingDB Entry DOI: 10.7270/Q2QZ2870
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM15539 ((3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)buta...) Show SMILES C[C@H]1N(CCCN(C1=O)C(C)(C)C)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C20H28F3N3O2/c1-12-19(28)26(20(2,3)4)7-5-6-25(12)18(27)10-14(24)8-13-9-16(22)17(23)11-15(13)21/h9,11-12,14H,5-8,10,24H2,1-4H3/t12-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	7.5	37
Merck Research Laboratories					Assay Description The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...				Bioorg Med Chem Lett 17: 1903-7 (2007) Article DOI: 10.1016/j.bmcl.2007.01.039 BindingDB Entry DOI: 10.7270/Q2QZ2870
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM15543 ((3R,6S)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)b...) Show SMILES C[C@H]1CNC(=O)[C@@H](C)N(C1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C17H22F3N3O2/c1-9-7-22-17(25)10(2)23(8-9)16(24)5-12(21)3-11-4-14(19)15(20)6-13(11)18/h4,6,9-10,12H,3,5,7-8,21H2,1-2H3,(H,22,25)/t9-,10+,12+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.70	n/a	n/a	n/a	n/a	7.5	37
Merck Research Laboratories					Assay Description The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...				Bioorg Med Chem Lett 17: 1903-7 (2007) Article DOI: 10.1016/j.bmcl.2007.01.039 BindingDB Entry DOI: 10.7270/Q2QZ2870
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM15536 ((3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)buta...) Show SMILES C[C@H]1N(CCCN(CCOCc2ccccc2)C1=O)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C25H30F3N3O3/c1-17-25(33)30(10-11-34-16-18-6-3-2-4-7-18)8-5-9-31(17)24(32)14-20(29)12-19-13-22(27)23(28)15-21(19)26/h2-4,6-7,13,15,17,20H,5,8-12,14,16,29H2,1H3/t17-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10.5	n/a	n/a	n/a	n/a	7.5	37
Merck Research Laboratories					Assay Description The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...				Bioorg Med Chem Lett 17: 1903-7 (2007) Article DOI: 10.1016/j.bmcl.2007.01.039 BindingDB Entry DOI: 10.7270/Q2QZ2870
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM15555 ((3R,7R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)b...) Show SMILES C[C@@H]1CCN([C@H](Cc2ccccn2)C(=O)N1)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C22H25F3N4O2/c1-13-5-7-29(20(22(31)28-13)11-16-4-2-3-6-27-16)21(30)10-15(26)8-14-9-18(24)19(25)12-17(14)23/h2-4,6,9,12-13,15,20H,5,7-8,10-11,26H2,1H3,(H,28,31)/t13-,15-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...				Bioorg Med Chem Lett 17: 1903-7 (2007) Article DOI: 10.1016/j.bmcl.2007.01.039 BindingDB Entry DOI: 10.7270/Q2QZ2870
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM13518 ((3R)-4-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoy...) Show SMILES C[C@H]1N(CCCNC1=O)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r| Show InChI InChI=1S/C16H21F2N3O2/c1-10-16(23)20-5-2-6-21(10)15(22)9-13(19)8-11-7-12(17)3-4-14(11)18/h3-4,7,10,13H,2,5-6,8-9,19H2,1H3,(H,20,23)/t10-,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11.5	n/a	n/a	n/a	n/a	7.5	37
Merck Research Laboratories					Assay Description The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...				Bioorg Med Chem Lett 17: 1903-7 (2007) Article DOI: 10.1016/j.bmcl.2007.01.039 BindingDB Entry DOI: 10.7270/Q2QZ2870
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM15530 (1-substituted diazepanone 9b | methyl 2-[(3R)-4-[(...) Show SMILES COC(=O)CN1CCCN([C@H](C)C1=O)C(=O)C[C@H](N)Cc1cc(F)ccc1F |r| Show InChI InChI=1S/C19H25F2N3O4/c1-12-19(27)23(11-18(26)28-2)6-3-7-24(12)17(25)10-15(22)9-13-8-14(20)4-5-16(13)21/h4-5,8,12,15H,3,6-7,9-11,22H2,1-2H3/t12-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11.6	n/a	n/a	n/a	n/a	7.5	37
Merck Research Laboratories					Assay Description The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...				Bioorg Med Chem Lett 17: 1903-7 (2007) Article DOI: 10.1016/j.bmcl.2007.01.039 BindingDB Entry DOI: 10.7270/Q2QZ2870
					More data for this Ligand-Target Pair

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