Compile Data Set for Download or QSAR

Found 475 hits with Last Name = 'kowalchick' and Initial = 'je'   

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))	BDBM50371255 (CHEMBL1203953) Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)[C@H]1Cc1ccc(F)cc1)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C23H20F7N5O/c24-14-3-1-12(2-4-14)7-19-21-32-33-22(23(28,29)30)35(21)6-5-34(19)20(36)10-15(31)8-13-9-17(26)18(27)11-16(13)25/h1-4,9,11,15,19H,5-8,10,31H2/t15-,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	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4				J Med Chem 51: 589-602 (2008) Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50232520 ((2R)-4-oxo-4-[3-(trifluoromethyl)-8-[2-(trifluorom...) Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1ccccc1C(F)(F)F)Cc1cc(F)c(F)cc1F |w:17.19| Show InChI InChI=1S/C24H20F9N5O/c25-16-11-18(27)17(26)8-13(16)7-14(34)10-20(39)37-5-6-38-21(35-36-22(38)24(31,32)33)19(37)9-12-3-1-2-4-15(12)23(28,29)30/h1-4,8,11,14,19H,5-7,9-10,34H2/t14-,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	0.310	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4				J Med Chem 51: 589-602 (2008) Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50232520 ((2R)-4-oxo-4-[3-(trifluoromethyl)-8-[2-(trifluorom...) Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1ccccc1C(F)(F)F)Cc1cc(F)c(F)cc1F |w:17.19| Show InChI InChI=1S/C24H20F9N5O/c25-16-11-18(27)17(26)8-13(16)7-14(34)10-20(39)37-5-6-38-21(35-36-22(38)24(31,32)33)19(37)9-12-3-1-2-4-15(12)23(28,29)30/h1-4,8,11,14,19H,5-7,9-10,34H2/t14-,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	0.310	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4				J Med Chem 51: 589-602 (2008) Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50232506 (2-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butano...) Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1C(O)c1ccc(F)cc1)Cc1cc(F)c(F)cc1F |w:17.17,18.20| Show InChI InChI=1S/C23H20F7N5O2/c24-13-3-1-11(2-4-13)20(37)19-21-32-33-22(23(28,29)30)35(21)6-5-34(19)18(36)9-14(31)7-12-8-16(26)17(27)10-15(12)25/h1-4,8,10,14,19-20,37H,5-7,9,31H2/t14-,19?,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	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4				J Med Chem 51: 589-602 (2008) Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50232518 ((2R)-4-oxo-4-[8-(pyridin-2-ylmethyl)-3-(trifluorom...) Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1ccccn1)Cc1cc(F)c(F)cc1F |w:17.19| Show InChI InChI=1S/C22H20F6N6O/c23-15-11-17(25)16(24)8-12(15)7-13(29)9-19(35)33-5-6-34-20(31-32-21(34)22(26,27)28)18(33)10-14-3-1-2-4-30-14/h1-4,8,11,13,18H,5-7,9-10,29H2/t13-,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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4				J Med Chem 51: 589-602 (2008) Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50232518 ((2R)-4-oxo-4-[8-(pyridin-2-ylmethyl)-3-(trifluorom...) Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1ccccn1)Cc1cc(F)c(F)cc1F |w:17.19| Show InChI InChI=1S/C22H20F6N6O/c23-15-11-17(25)16(24)8-12(15)7-13(29)9-19(35)33-5-6-34-20(31-32-21(34)22(26,27)28)18(33)10-14-3-1-2-4-30-14/h1-4,8,11,13,18H,5-7,9-10,29H2/t13-,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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4				J Med Chem 51: 589-602 (2008) Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50232503 ((2R)-4-[8-(4-methoxybenzyl)-3-(trifluoromethyl)-5,...) Show SMILES COc1ccc(CC2N(CCn3c2nnc3C(F)(F)F)C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1 |w:7.6| Show InChI InChI=1S/C24H23F6N5O2/c1-37-16-4-2-13(3-5-16)8-20-22-32-33-23(24(28,29)30)35(22)7-6-34(20)21(36)11-15(31)9-14-10-18(26)19(27)12-17(14)25/h2-5,10,12,15,20H,6-9,11,31H2,1H3/t15-,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	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4				J Med Chem 51: 589-602 (2008) Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50232503 ((2R)-4-[8-(4-methoxybenzyl)-3-(trifluoromethyl)-5,...) Show SMILES COc1ccc(CC2N(CCn3c2nnc3C(F)(F)F)C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1 |w:7.6| Show InChI InChI=1S/C24H23F6N5O2/c1-37-16-4-2-13(3-5-16)8-20-22-32-33-23(24(28,29)30)35(22)7-6-34(20)21(36)11-15(31)9-14-10-18(26)19(27)12-17(14)25/h2-5,10,12,15,20H,6-9,11,31H2,1H3/t15-,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	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4				J Med Chem 51: 589-602 (2008) Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50232501 ((2R)-4-[8-(2-fluorobenzyl)-3-(trifluoromethyl)-5,6...) Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1ccccc1F)Cc1cc(F)c(F)cc1F |w:17.19| Show InChI InChI=1S/C23H20F7N5O/c24-15-4-2-1-3-12(15)9-19-21-32-33-22(23(28,29)30)35(21)6-5-34(19)20(36)10-14(31)7-13-8-17(26)18(27)11-16(13)25/h1-4,8,11,14,19H,5-7,9-10,31H2/t14-,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	0.460	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4				J Med Chem 51: 589-602 (2008) Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50232501 ((2R)-4-[8-(2-fluorobenzyl)-3-(trifluoromethyl)-5,6...) Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1ccccc1F)Cc1cc(F)c(F)cc1F |w:17.19| Show InChI InChI=1S/C23H20F7N5O/c24-15-4-2-1-3-12(15)9-19-21-32-33-22(23(28,29)30)35(21)6-5-34(19)20(36)10-14(31)7-13-8-17(26)18(27)11-16(13)25/h1-4,8,11,14,19H,5-7,9-10,31H2/t14-,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	0.460	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4				J Med Chem 51: 589-602 (2008) Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50232506 (2-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butano...) Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1C(O)c1ccc(F)cc1)Cc1cc(F)c(F)cc1F |w:17.17,18.20| Show InChI InChI=1S/C23H20F7N5O2/c24-13-3-1-11(2-4-13)20(37)19-21-32-33-22(23(28,29)30)35(21)6-5-34(19)18(36)9-14(31)7-12-8-16(26)17(27)10-15(12)25/h1-4,8,10,14,19-20,37H,5-7,9,31H2/t14-,19?,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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4				J Med Chem 51: 589-602 (2008) Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50232506 (2-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butano...) Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1C(O)c1ccc(F)cc1)Cc1cc(F)c(F)cc1F |w:17.17,18.20| Show InChI InChI=1S/C23H20F7N5O2/c24-13-3-1-11(2-4-13)20(37)19-21-32-33-22(23(28,29)30)35(21)6-5-34(19)18(36)9-14(31)7-12-8-16(26)17(27)10-15(12)25/h1-4,8,10,14,19-20,37H,5-7,9,31H2/t14-,19?,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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4				J Med Chem 51: 589-602 (2008) Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50232510 ((2R)-4-[8-benzyl-3-(trifluoromethyl)-5,6-dihydro[1...) Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1ccccc1)Cc1cc(F)c(F)cc1F |w:17.19| Show InChI InChI=1S/C23H21F6N5O/c24-16-12-18(26)17(25)10-14(16)9-15(30)11-20(35)33-6-7-34-21(31-32-22(34)23(27,28)29)19(33)8-13-4-2-1-3-5-13/h1-5,10,12,15,19H,6-9,11,30H2/t15-,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	0.660	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4				J Med Chem 51: 589-602 (2008) Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50232510 ((2R)-4-[8-benzyl-3-(trifluoromethyl)-5,6-dihydro[1...) Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1ccccc1)Cc1cc(F)c(F)cc1F |w:17.19| Show InChI InChI=1S/C23H21F6N5O/c24-16-12-18(26)17(25)10-14(16)9-15(30)11-20(35)33-6-7-34-21(31-32-22(34)23(27,28)29)19(33)8-13-4-2-1-3-5-13/h1-5,10,12,15,19H,6-9,11,30H2/t15-,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	0.660	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4				J Med Chem 51: 589-602 (2008) Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50221449 ((3R)-1-(8-((1H-imidazol-1-yl)methyl)-2-(trifluorom...) Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2C1Cn1ccnc1)C(F)(F)F)Cc1cc(F)c(F)cc1F |w:13.15| Show InChI InChI=1S/C20H19F6N7O/c21-13-8-15(23)14(22)6-11(13)5-12(27)7-17(34)32-3-4-33-18(29-19(30-33)20(24,25)26)16(32)9-31-2-1-28-10-31/h1-2,6,8,10,12,16H,3-5,7,9,27H2/t12-,16?/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	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: 5934-9 (2007) Article DOI: 10.1016/j.bmcl.2007.07.100 BindingDB Entry DOI: 10.7270/Q20C4VH0
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50221444 ((R)-1-((R)-8-((1H-1,2,4-triazol-1-yl)methyl)-2-(tr...) Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2[C@H]1Cn1cncn1)C(F)(F)F)Cc1cc(F)c(F)cc1F Show InChI InChI=1S/C19H18F6N8O/c20-12-6-14(22)13(21)4-10(12)3-11(26)5-16(34)32-1-2-33-17(29-18(30-33)19(23,24)25)15(32)7-31-9-27-8-28-31/h4,6,8-9,11,15H,1-3,5,7,26H2/t11-,15-/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	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: 5934-9 (2007) Article DOI: 10.1016/j.bmcl.2007.07.100 BindingDB Entry DOI: 10.7270/Q20C4VH0
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50232507 (2-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butano...) Show SMILES CN(C)C(=O)CC1N(CCn2c1nnc2C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:6.5| Show InChI InChI=1S/C20H22F6N6O2/c1-30(2)16(33)9-15-18-28-29-19(20(24,25)26)32(18)4-3-31(15)17(34)7-11(27)5-10-6-13(22)14(23)8-12(10)21/h6,8,11,15H,3-5,7,9,27H2,1-2H3/t11-,15?/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	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4				J Med Chem 51: 589-602 (2008) Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50232507 (2-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butano...) Show SMILES CN(C)C(=O)CC1N(CCn2c1nnc2C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:6.5| Show InChI InChI=1S/C20H22F6N6O2/c1-30(2)16(33)9-15-18-28-29-19(20(24,25)26)32(18)4-3-31(15)17(34)7-11(27)5-10-6-13(22)14(23)8-12(10)21/h6,8,11,15H,3-5,7,9,27H2,1-2H3/t11-,15?/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	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4				J Med Chem 51: 589-602 (2008) Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50221452 ((R)-1-((R)-8-(4-fluorobenzyl)-2-(trifluoromethyl)-...) Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2[C@H]1Cc1ccc(F)cc1)C(F)(F)F)Cc1cc(F)c(F)cc1F Show InChI InChI=1S/C23H20F7N5O/c24-14-3-1-12(2-4-14)7-19-21-32-22(23(28,29)30)33-35(21)6-5-34(19)20(36)10-15(31)8-13-9-17(26)18(27)11-16(13)25/h1-4,9,11,15,19H,5-8,10,31H2/t15-,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	4	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: 5934-9 (2007) Article DOI: 10.1016/j.bmcl.2007.07.100 BindingDB Entry DOI: 10.7270/Q20C4VH0
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50221442 ((3R)-1-(8-((1H-pyrazol-1-yl)methyl)-2-(trifluorome...) Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2C1Cn1cccn1)C(F)(F)F)Cc1cc(F)c(F)cc1F |w:13.15| Show InChI InChI=1S/C20H19F6N7O/c21-13-9-15(23)14(22)7-11(13)6-12(27)8-17(34)32-4-5-33-18(29-19(30-33)20(24,25)26)16(32)10-31-3-1-2-28-31/h1-3,7,9,12,16H,4-6,8,10,27H2/t12-,16?/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	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: 5934-9 (2007) Article DOI: 10.1016/j.bmcl.2007.07.100 BindingDB Entry DOI: 10.7270/Q20C4VH0
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50221454 ((R)-1-((R)-8-(4-(trifluoromethyl)benzyl)-2-(triflu...) Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2[C@H]1Cc1ccc(cc1)C(F)(F)F)C(F)(F)F)Cc1cc(F)c(F)cc1F Show InChI InChI=1S/C24H20F9N5O/c25-16-11-18(27)17(26)9-13(16)8-15(34)10-20(39)37-5-6-38-21(35-22(36-38)24(31,32)33)19(37)7-12-1-3-14(4-2-12)23(28,29)30/h1-4,9,11,15,19H,5-8,10,34H2/t15-,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	4	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: 5934-9 (2007) Article DOI: 10.1016/j.bmcl.2007.07.100 BindingDB Entry DOI: 10.7270/Q20C4VH0
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50232502 ((2R)-4-[(8S)-8-methyl-3-(trifluoromethyl)-5,6-dihy...) Show SMILES C[C@@H]1N(CCn2c1nnc2C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F Show InChI InChI=1S/C17H17F6N5O/c1-8-15-25-26-16(17(21,22)23)28(15)3-2-27(8)14(29)6-10(24)4-9-5-12(19)13(20)7-11(9)18/h5,7-8,10H,2-4,6,24H2,1H3/t8-,10+/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	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4				J Med Chem 51: 589-602 (2008) Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50232511 ((2R)-4-[8-ethyl-3-(trifluoromethyl)-5,6-dihydro[1,...) Show SMILES CCC1N(CCn2c1nnc2C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:2.1| Show InChI InChI=1S/C18H19F6N5O/c1-2-14-16-26-27-17(18(22,23)24)29(16)4-3-28(14)15(30)7-10(25)5-9-6-12(20)13(21)8-11(9)19/h6,8,10,14H,2-5,7,25H2,1H3/t10-,14?/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	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4				J Med Chem 51: 589-602 (2008) Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50232511 ((2R)-4-[8-ethyl-3-(trifluoromethyl)-5,6-dihydro[1,...) Show SMILES CCC1N(CCn2c1nnc2C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:2.1| Show InChI InChI=1S/C18H19F6N5O/c1-2-14-16-26-27-17(18(22,23)24)29(16)4-3-28(14)15(30)7-10(25)5-9-6-12(20)13(21)8-11(9)19/h6,8,10,14H,2-5,7,25H2,1H3/t10-,14?/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	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4				J Med Chem 51: 589-602 (2008) Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50221453 ((3R)-1-(8-((1H-1,2,4-triazol-1-yl)methyl)-2-(trifl...) Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2C1Cn1cncn1)C(F)(F)F)Cc1cc(F)c(F)cc1F |w:13.15| Show InChI InChI=1S/C19H18F6N8O/c20-12-6-14(22)13(21)4-10(12)3-11(26)5-16(34)32-1-2-33-17(29-18(30-33)19(23,24)25)15(32)7-31-9-27-8-28-31/h4,6,8-9,11,15H,1-3,5,7,26H2/t11-,15?/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	5	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: 5934-9 (2007) Article DOI: 10.1016/j.bmcl.2007.07.100 BindingDB Entry DOI: 10.7270/Q20C4VH0
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50232508 ((2R)-4-[8-(2,2,2-trifluoroethyl)-3-(trifluoromethy...) Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1CC(F)(F)F)Cc1cc(F)c(F)cc1F |w:17.19| Show InChI InChI=1S/C18H16F9N5O/c19-10-6-12(21)11(20)4-8(10)3-9(28)5-14(33)31-1-2-32-15(13(31)7-17(22,23)24)29-30-16(32)18(25,26)27/h4,6,9,13H,1-3,5,7,28H2/t9-,13?/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	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4				J Med Chem 51: 589-602 (2008) Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50232508 ((2R)-4-[8-(2,2,2-trifluoroethyl)-3-(trifluoromethy...) Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1CC(F)(F)F)Cc1cc(F)c(F)cc1F |w:17.19| Show InChI InChI=1S/C18H16F9N5O/c19-10-6-12(21)11(20)4-8(10)3-9(28)5-14(33)31-1-2-32-15(13(31)7-17(22,23)24)29-30-16(32)18(25,26)27/h4,6,9,13H,1-3,5,7,28H2/t9-,13?/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	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4				J Med Chem 51: 589-602 (2008) Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50232519 ((2R)-4-[8-[3,5-bis(trifluoromethyl)benzyl]-3-(trif...) Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1cc(F)c(F)cc1F |w:17.19| Show InChI InChI=1S/C25H19F12N5O/c26-16-10-18(28)17(27)7-12(16)6-15(38)9-20(43)41-1-2-42-21(39-40-22(42)25(35,36)37)19(41)5-11-3-13(23(29,30)31)8-14(4-11)24(32,33)34/h3-4,7-8,10,15,19H,1-2,5-6,9,38H2/t15-,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	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4				J Med Chem 51: 589-602 (2008) Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50232519 ((2R)-4-[8-[3,5-bis(trifluoromethyl)benzyl]-3-(trif...) Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1cc(F)c(F)cc1F |w:17.19| Show InChI InChI=1S/C25H19F12N5O/c26-16-10-18(28)17(27)7-12(16)6-15(38)9-20(43)41-1-2-42-21(39-40-22(42)25(35,36)37)19(41)5-11-3-13(23(29,30)31)8-14(4-11)24(32,33)34/h3-4,7-8,10,15,19H,1-2,5-6,9,38H2/t15-,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	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4				J Med Chem 51: 589-602 (2008) Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50221451 ((R)-3-amino-1-((R)-8-(cyclopropylmethyl)-2-(triflu...) Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2[C@H]1CC1CC1)C(F)(F)F)Cc1cc(F)c(F)cc1F Show InChI InChI=1S/C20H21F6N5O/c21-13-9-15(23)14(22)7-11(13)6-12(27)8-17(32)30-3-4-31-18(16(30)5-10-1-2-10)28-19(29-31)20(24,25)26/h7,9-10,12,16H,1-6,8,27H2/t12-,16-/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	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: 5934-9 (2007) Article DOI: 10.1016/j.bmcl.2007.07.100 BindingDB Entry DOI: 10.7270/Q20C4VH0
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50232504 ((2R)-4-[5,8-dimethyl-3-(trifluoromethyl)-5,6-dihyd...) Show SMILES CC1CN(C(C)c2nnc(n12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:1.0,4.4| Show InChI InChI=1S/C18H19F6N5O/c1-8-7-28(9(2)16-26-27-17(29(8)16)18(22,23)24)15(30)5-11(25)3-10-4-13(20)14(21)6-12(10)19/h4,6,8-9,11H,3,5,7,25H2,1-2H3/t8?,9?,11-/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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4				J Med Chem 51: 589-602 (2008) Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Mus musculus)	BDBM50232502 ((2R)-4-[(8S)-8-methyl-3-(trifluoromethyl)-5,6-dihy...) Show SMILES C[C@@H]1N(CCn2c1nnc2C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F Show InChI InChI=1S/C17H17F6N5O/c1-8-15-25-26-16(17(21,22)23)28(15)3-2-27(8)14(29)6-10(24)4-9-5-12(19)13(20)7-11(9)18/h5,7-8,10H,2-4,6,24H2,1H3/t8-,10+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of mouse DPP4 at 1 mg/kg				J Med Chem 51: 589-602 (2008) Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50221445 ((R)-3-amino-1-((R)-8-(cyclopropylfluoromethyl)-2-(...) Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2[C@@H]1C(F)C1CC1)C(F)(F)F)Cc1cc(F)c(F)cc1F |w:14.16| Show InChI InChI=1S/C20H20F7N5O/c21-12-8-14(23)13(22)6-10(12)5-11(28)7-15(33)31-3-4-32-18(17(31)16(24)9-1-2-9)29-19(30-32)20(25,26)27/h6,8-9,11,16-17H,1-5,7,28H2/t11-,16?,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	11	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: 5934-9 (2007) Article DOI: 10.1016/j.bmcl.2007.07.100 BindingDB Entry DOI: 10.7270/Q20C4VH0
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50232504 ((2R)-4-[5,8-dimethyl-3-(trifluoromethyl)-5,6-dihyd...) Show SMILES CC1CN(C(C)c2nnc(n12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:1.0,4.4| Show InChI InChI=1S/C18H19F6N5O/c1-8-7-28(9(2)16-26-27-17(29(8)16)18(22,23)24)15(30)5-11(25)3-10-4-13(20)14(21)6-12(10)19/h4,6,8-9,11H,3,5,7,25H2,1-2H3/t8?,9?,11-/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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4				J Med Chem 51: 589-602 (2008) Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50221445 ((R)-3-amino-1-((R)-8-(cyclopropylfluoromethyl)-2-(...) Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2[C@@H]1C(F)C1CC1)C(F)(F)F)Cc1cc(F)c(F)cc1F |w:14.16| Show InChI InChI=1S/C20H20F7N5O/c21-12-8-14(23)13(22)6-10(12)5-11(28)7-15(33)31-3-4-32-18(17(31)16(24)9-1-2-9)29-19(30-32)20(25,26)27/h6,8-9,11,16-17H,1-5,7,28H2/t11-,16?,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	11	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: 5934-9 (2007) Article DOI: 10.1016/j.bmcl.2007.07.100 BindingDB Entry DOI: 10.7270/Q20C4VH0
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50232504 ((2R)-4-[5,8-dimethyl-3-(trifluoromethyl)-5,6-dihyd...) Show SMILES CC1CN(C(C)c2nnc(n12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:1.0,4.4| Show InChI InChI=1S/C18H19F6N5O/c1-8-7-28(9(2)16-26-27-17(29(8)16)18(22,23)24)15(30)5-11(25)3-10-4-13(20)14(21)6-12(10)19/h4,6,8-9,11H,3,5,7,25H2,1-2H3/t8?,9?,11-/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	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4				J Med Chem 51: 589-602 (2008) Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50221446 ((R)-3-amino-1-((R)-8-(cyclopropyl(hydroxy)methyl)-...) Show SMILES NC(CC(=O)N1CCn2nc(nc2[C@@H]1C(O)C1CC1)C(F)(F)F)Cc1cc(F)c(F)cc1F |w:1.0,14.16| Show InChI InChI=1S/C20H21F6N5O2/c21-12-8-14(23)13(22)6-10(12)5-11(27)7-15(32)30-3-4-31-18(16(30)17(33)9-1-2-9)28-19(29-31)20(24,25)26/h6,8-9,11,16-17,33H,1-5,7,27H2/t11?,16-,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	12	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: 5934-9 (2007) Article DOI: 10.1016/j.bmcl.2007.07.100 BindingDB Entry DOI: 10.7270/Q20C4VH0
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50221440 ((R)-3-amino-1-((R)-8-(cyclopropyl(hydroxy)methyl)-...) Show SMILES N[C@@H](CC(=O)N1CCn2nc(nc2[C@@H]1C(O)C1CC1)C(F)(F)F)Cc1cc(F)c(F)cc1F |w:14.16| Show InChI InChI=1S/C20H21F6N5O2/c21-12-8-14(23)13(22)6-10(12)5-11(27)7-15(32)30-3-4-31-18(16(30)17(33)9-1-2-9)28-19(29-31)20(24,25)26/h6,8-9,11,16-17,33H,1-5,7,27H2/t11-,16+,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	14	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: 5934-9 (2007) Article DOI: 10.1016/j.bmcl.2007.07.100 BindingDB Entry DOI: 10.7270/Q20C4VH0
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11162 ((1R)-3-oxo-3-[3-(trifluoroethyl)-5,6-dihydro[1,2,4...) Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	18	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: 5934-9 (2007) Article DOI: 10.1016/j.bmcl.2007.07.100 BindingDB Entry DOI: 10.7270/Q20C4VH0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11162 ((1R)-3-oxo-3-[3-(trifluoroethyl)-5,6-dihydro[1,2,4...) Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	18	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...				J Med Chem 48: 141-51 (2005) Article DOI: 10.1021/jm0493156 BindingDB Entry DOI: 10.7270/Q2HH6H8H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11162 ((1R)-3-oxo-3-[3-(trifluoroethyl)-5,6-dihydro[1,2,4...) Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4				J Med Chem 51: 589-602 (2008) Article DOI: 10.1021/jm070330v BindingDB Entry DOI: 10.7270/Q2B27W4M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11162 ((1R)-3-oxo-3-[3-(trifluoroethyl)-5,6-dihydro[1,2,4...) Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r| Show InChI InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4 activity				Bioorg Med Chem Lett 17: 3373-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.098 BindingDB Entry DOI: 10.7270/Q2W37W04
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM15561 ((3R)-3-amino-4-(5-chloro-2-fluorophenyl)-1-[3-(tri...) Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(Cl)ccc1F |r| Show InChI InChI=1S/C16H16ClF4N5O/c17-10-1-2-12(18)9(5-10)6-11(22)7-14(27)25-3-4-26-13(8-25)23-24-15(26)16(19,20)21/h1-2,5,11H,3-4,6-8,22H2/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	21	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4 activity				Bioorg Med Chem Lett 17: 3373-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.098 BindingDB Entry DOI: 10.7270/Q2W37W04
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50210657 ((R)-3-amino-4-(2,4-dichlorophenyl)-1-(3-(trifluoro...) Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1ccc(Cl)cc1Cl Show InChI InChI=1S/C16H16Cl2F3N5O/c17-10-2-1-9(12(18)6-10)5-11(22)7-14(27)25-3-4-26-13(8-25)23-24-15(26)16(19,20)21/h1-2,6,11H,3-5,7-8,22H2/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	23	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4 activity				Bioorg Med Chem Lett 17: 3373-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.098 BindingDB Entry DOI: 10.7270/Q2W37W04
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50221443 ((2R)-4-[(8R)-8-METHYL-2-(TRIFLUOROMETHYL)-5,6-DIHY...) Show SMILES C[C@H]1N(CCn2nc(nc12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F Show InChI InChI=1S/C17H17F6N5O/c1-8-15-25-16(17(21,22)23)26-28(15)3-2-27(8)14(29)6-10(24)4-9-5-12(19)13(20)7-11(9)18/h5,7-8,10H,2-4,6,24H2,1H3/t8-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	25	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: 5934-9 (2007) Article DOI: 10.1016/j.bmcl.2007.07.100 BindingDB Entry DOI: 10.7270/Q20C4VH0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11160 ((3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluor...) Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)ccc1F |r| Show InChI InChI=1S/C16H16F5N5O/c17-10-1-2-12(18)9(5-10)6-11(22)7-14(27)25-3-4-26-13(8-25)23-24-15(26)16(19,20)21/h1-2,5,11H,3-4,6-8,22H2/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	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...				J Med Chem 48: 141-51 (2005) Article DOI: 10.1021/jm0493156 BindingDB Entry DOI: 10.7270/Q2HH6H8H
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11160 ((3R)-3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluor...) Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)ccc1F |r| Show InChI InChI=1S/C16H16F5N5O/c17-10-1-2-12(18)9(5-10)6-11(22)7-14(27)25-3-4-26-13(8-25)23-24-15(26)16(19,20)21/h1-2,5,11H,3-4,6-8,22H2/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4 activity				Bioorg Med Chem Lett 17: 3373-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.098 BindingDB Entry DOI: 10.7270/Q2W37W04
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50210649 ((R)-3-amino-1-(3-(difluoromethyl)-5,6-dihydro-[1,2...) Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)F)Cc1cc(F)c(F)cc1F Show InChI InChI=1S/C16H16F5N5O/c17-10-6-12(19)11(18)4-8(10)3-9(22)5-14(27)25-1-2-26-13(7-25)23-24-16(26)15(20)21/h4,6,9,15H,1-3,5,7,22H2/t9-/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	29	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4 activity				Bioorg Med Chem Lett 17: 3373-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.098 BindingDB Entry DOI: 10.7270/Q2W37W04
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50210647 ((R)-3-amino-1-(3-cyclopropyl-5,6-dihydro-[1,2,4]tr...) Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C1CC1)Cc1cc(F)c(F)cc1F Show InChI InChI=1S/C18H20F3N5O/c19-13-8-15(21)14(20)6-11(13)5-12(22)7-17(27)25-3-4-26-16(9-25)23-24-18(26)10-1-2-10/h6,8,10,12H,1-5,7,9,22H2/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	30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4 activity				Bioorg Med Chem Lett 17: 3373-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.098 BindingDB Entry DOI: 10.7270/Q2W37W04
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50210668 ((3R)-3-amino-4-(2,5-difluorophenyl)-1-(3-(2,4-difl...) Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2-c1ccc(F)cc1F)Cc1cc(F)ccc1F Show InChI InChI=1S/C21H19F4N5O/c22-13-2-4-17(24)12(7-13)8-15(26)10-20(31)29-5-6-30-19(11-29)27-28-21(30)16-3-1-14(23)9-18(16)25/h1-4,7,9,15H,5-6,8,10-11,26H2/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	30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4 activity				Bioorg Med Chem Lett 17: 3373-7 (2007) Article DOI: 10.1016/j.bmcl.2007.03.098 BindingDB Entry DOI: 10.7270/Q2W37W04
					More data for this Ligand-Target Pair

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