Compile Data Set for Download or QSAR

Found 258 hits with Last Name = 'deri' and Initial = 'b'   

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))	BDBM11694 ((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...) Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C13H21N3O/c14-9-11-7-4-8-16(11)13(17)12(15)10-5-2-1-3-6-10/h10-12H,1-8,15H2/t11-,12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Binding affinity towards Dipeptidyl peptidase IV (DPP-IV)				J Med Chem 46: 2774-89 (2003) Article DOI: 10.1021/jm030091l BindingDB Entry DOI: 10.7270/Q20001HR
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50171117 (2-(4-(N-(3-bromo-4-(difluoro(phosphono)methyl)benz...) Show SMILES CN(C)S(=O)(=O)c1ccc(CN(Cc2ccc(c(Br)c2)C(F)(F)P(O)(O)=O)S(=O)(=O)c2ccc(OCC(O)=O)cc2)cc1 Show InChI InChI=1S/C25H26BrF2N2O10PS2/c1-29(2)42(36,37)20-8-3-17(4-9-20)14-30(43(38,39)21-10-6-19(7-11-21)40-16-24(31)32)15-18-5-12-22(23(26)13-18)25(27,28)41(33,34)35/h3-13H,14-16H2,1-2H3,(H,31,32)(H2,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Affymax, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against protein tyrosine phosphatase 1B using O-methyl fluorescein monophosphate				Bioorg Med Chem Lett 15: 4336-41 (2005) Article DOI: 10.1016/j.bmcl.2005.06.061 BindingDB Entry DOI: 10.7270/Q2M61JSK
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50171106 ((4-{[(Benzyl-methyl-carbamoyl)-methyl]-[3-bromo-4-...) Show SMILES CN(Cc1ccccc1)C(=O)CN(Cc1ccc(c(Br)c1)C(F)(F)P(O)(O)=O)S(=O)(=O)c1ccc(OCC(O)=O)cc1 Show InChI InChI=1S/C26H26BrF2N2O9PS/c1-30(14-18-5-3-2-4-6-18)24(32)16-31(42(38,39)21-10-8-20(9-11-21)40-17-25(33)34)15-19-7-12-22(23(27)13-19)26(28,29)41(35,36)37/h2-13H,14-17H2,1H3,(H,33,34)(H2,35,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Affymax, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against protein tyrosine phosphatase 1B using O-methyl fluorescein monophosphate				Bioorg Med Chem Lett 15: 4336-41 (2005) Article DOI: 10.1016/j.bmcl.2005.06.061 BindingDB Entry DOI: 10.7270/Q2M61JSK
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50172899 (3,4-diarylpyrazoline derivative | CHEMBL195050) Show SMILES CCN(CC)S(=O)(=O)NC(=NC)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:10.10,c:15| Show InChI InChI=1S/C21H26ClN5O2S/c1-4-26(5-2)30(28,29)25-21(23-3)27-15-19(16-9-7-6-8-10-16)20(24-27)17-11-13-18(22)14-12-17/h6-14,19H,4-5,15H2,1-3H3,(H,23,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Displacement of radioligand CP55940 from human CB1 receptor expressed in CHO cells by radioligand binding assay				Drug Metab Dispos 39: 1294-302 (2011) Article DOI: 10.1124/dmd.110.037812 BindingDB Entry DOI: 10.7270/Q2MK6FMS
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50171096 (CHEMBL371929 | {4-[[3-Bromo-4-(difluoro-phosphono-...) Show SMILES OC(=O)COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)-c1csnn1)Cc1ccc(c(Br)c1)C(F)(F)P(O)(O)=O Show InChI InChI=1S/C25H21BrF2N3O8PS2/c26-22-11-17(3-10-21(22)25(27,28)40(34,35)36)13-31(12-16-1-4-18(5-2-16)23-15-41-30-29-23)42(37,38)20-8-6-19(7-9-20)39-14-24(32)33/h1-11,15H,12-14H2,(H,32,33)(H2,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Affymax, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against protein tyrosine phosphatase 1B using O-methyl fluorescein monophosphate				Bioorg Med Chem Lett 15: 4336-41 (2005) Article DOI: 10.1016/j.bmcl.2005.06.061 BindingDB Entry DOI: 10.7270/Q2M61JSK
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50171100 (CHEMBL198882 | {4-[[4-(Difluoro-phosphono-methyl)-...) Show SMILES OC(=O)COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(cc1)-c1csnn1)Cc1ccc(cc1)C(F)(F)P(O)(O)=O Show InChI InChI=1S/C25H22F2N3O8PS2/c26-25(27,39(33,34)35)20-7-3-18(4-8-20)14-30(13-17-1-5-19(6-2-17)23-16-40-29-28-23)41(36,37)22-11-9-21(10-12-22)38-15-24(31)32/h1-12,16H,13-15H2,(H,31,32)(H2,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Affymax, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against protein tyrosine phosphatase 1B using O-methyl fluorescein monophosphate				Bioorg Med Chem Lett 15: 4336-41 (2005) Article DOI: 10.1016/j.bmcl.2005.06.061 BindingDB Entry DOI: 10.7270/Q2M61JSK
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50171099 ((4-((N-(4-(1,2,3-thiadiazol-4-yl)benzyl)phenylsulf...) Show SMILES OP(O)(=O)C(F)(F)c1ccc(CN(Cc2ccc(cc2)-c2csnn2)S(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C23H20F2N3O5PS2/c24-23(25,34(29,30)31)20-12-8-18(9-13-20)15-28(36(32,33)21-4-2-1-3-5-21)14-17-6-10-19(11-7-17)22-16-35-27-26-22/h1-13,16H,14-15H2,(H2,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Affymax, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against protein tyrosine phosphatase 1B using O-methyl fluorescein monophosphate				Bioorg Med Chem Lett 15: 4336-41 (2005) Article DOI: 10.1016/j.bmcl.2005.06.061 BindingDB Entry DOI: 10.7270/Q2M61JSK
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50172900 (3,4-diarylpyrazoline derivative | CHEMBL197040) Show SMILES CN=C(NS(=O)(=O)N1CCCCCC1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:18| Show InChI InChI=1S/C23H28ClN5O2S/c1-25-23(27-32(30,31)28-15-7-2-3-8-16-28)29-17-21(18-9-5-4-6-10-18)22(26-29)19-11-13-20(24)14-12-19/h4-6,9-14,21H,2-3,7-8,15-17H2,1H3,(H,25,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	155	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Displacement of radioligand CP55940 from human CB1 receptor expressed in CHO cells by radioligand binding assay				Drug Metab Dispos 39: 1294-302 (2011) Article DOI: 10.1124/dmd.110.037812 BindingDB Entry DOI: 10.7270/Q2MK6FMS
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50172909 (3,4-diarylpyrazoline derivative | CHEMBL372650) Show SMILES CN=C(NS(=O)(=O)N(C)C)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:13| Show InChI InChI=1S/C19H22ClN5O2S/c1-21-19(23-28(26,27)24(2)3)25-13-17(14-7-5-4-6-8-14)18(22-25)15-9-11-16(20)12-10-15/h4-12,17H,13H2,1-3H3,(H,21,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	223	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Displacement of radioligand CP55940 from human CB1 receptor expressed in CHO cells by radioligand binding assay				Drug Metab Dispos 39: 1294-302 (2011) Article DOI: 10.1124/dmd.110.037812 BindingDB Entry DOI: 10.7270/Q2MK6FMS
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50172904 (3,4-diarylpyrazoline derivative | CHEMBL196989) Show SMILES CN=C(NS(=O)(=O)N1CCCC1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:16| Show InChI InChI=1S/C21H24ClN5O2S/c1-23-21(25-30(28,29)26-13-5-6-14-26)27-15-19(16-7-3-2-4-8-16)20(24-27)17-9-11-18(22)12-10-17/h2-4,7-12,19H,5-6,13-15H2,1H3,(H,23,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	231	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Displacement of radioligand CP55940 from human CB1 receptor expressed in CHO cells by radioligand binding assay				Drug Metab Dispos 39: 1294-302 (2011) Article DOI: 10.1124/dmd.110.037812 BindingDB Entry DOI: 10.7270/Q2MK6FMS
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50171118 ((4-{[(Benzyl-methyl-carbamoyl)-methyl]-[4-(difluor...) Show SMILES CN(Cc1ccccc1)C(=O)CN(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)S(=O)(=O)c1ccc(OCC(O)=O)cc1 Show InChI InChI=1S/C26H27F2N2O9PS/c1-29(15-19-5-3-2-4-6-19)24(31)17-30(16-20-7-9-21(10-8-20)26(27,28)40(34,35)36)41(37,38)23-13-11-22(12-14-23)39-18-25(32)33/h2-14H,15-18H2,1H3,(H,32,33)(H2,34,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Affymax, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against protein tyrosine phosphatase 1B using O-methyl fluorescein monophosphate				Bioorg Med Chem Lett 15: 4336-41 (2005) Article DOI: 10.1016/j.bmcl.2005.06.061 BindingDB Entry DOI: 10.7270/Q2M61JSK
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50171112 (({4-[(Benzenesulfonyl-benzyl-amino)-methyl]-phenyl...) Show SMILES OP(O)(=O)C(F)(F)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C21H20F2NO5PS/c22-21(23,30(25,26)27)19-13-11-18(12-14-19)16-24(15-17-7-3-1-4-8-17)31(28,29)20-9-5-2-6-10-20/h1-14H,15-16H2,(H2,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Affymax, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against protein tyrosine phosphatase 1B using O-methyl fluorescein monophosphate				Bioorg Med Chem Lett 15: 4336-41 (2005) Article DOI: 10.1016/j.bmcl.2005.06.061 BindingDB Entry DOI: 10.7270/Q2M61JSK
					More data for this Ligand-Target Pair
Multidrug resistance-associated protein 1 (Homo sapiens (Human))	BDBM21278 (5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Noncompetitive inhibition of MRP1-mediated E2-17betaG transport in human MRP1 expressing HEK293 cells by Dixon plot				Drug Metab Dispos 39: 1294-302 (2011) Article DOI: 10.1124/dmd.110.037812 BindingDB Entry DOI: 10.7270/Q2MK6FMS
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 4 (Homo sapiens (Human))	BDBM21278 (5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Noncompetitive inhibition of MRP4-mediated E2-17betaG transport in human MRP4 expressing HEK293 cells by Dixon plot				Drug Metab Dispos 39: 1294-302 (2011) Article DOI: 10.1124/dmd.110.037812 BindingDB Entry DOI: 10.7270/Q2MK6FMS
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 4 (Homo sapiens (Human))	BDBM50172903 (3,4-diarylpyrazoline derivative | CHEMBL364300) Show SMILES CCN(C)S(=O)(=O)NC(=NC)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:9.9,c:14| Show InChI InChI=1S/C20H24ClN5O2S/c1-4-25(3)29(27,28)24-20(22-2)26-14-18(15-8-6-5-7-9-15)19(23-26)16-10-12-17(21)13-11-16/h5-13,18H,4,14H2,1-3H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Radboud University Nijmegen Medical Centre Curated by ChEMBL					Assay Description Noncompetitive inhibition of MRP4-mediated E2-17betaG transport in human MRP4 expressing HEK293 cells by Dixon plot				Drug Metab Dispos 39: 1294-302 (2011) Article DOI: 10.1124/dmd.110.037812 BindingDB Entry DOI: 10.7270/Q2MK6FMS
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50129897 (1-(2-Amino-3-methyl-butyryl)-pyrrolidine-2-carboni...) Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C10H17N3O/c1-7(2)9(12)10(14)13-5-3-4-8(13)6-11/h7-9H,3-5,12H2,1-2H3/t8-,9?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human dipeptidyl peptidase IV (DPP IV) obtained from human colonic carcinoma cells				J Med Chem 46: 2774-89 (2003) Article DOI: 10.1021/jm030091l BindingDB Entry DOI: 10.7270/Q20001HR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11694 ((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...) Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C13H21N3O/c14-9-11-7-4-8-16(11)13(17)12(15)10-5-2-1-3-6-10/h10-12H,1-8,15H2/t11-,12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Dipeptidyl peptidase IV (DPP-IV) extracted from Caco-2 cells				J Med Chem 45: 2362-5 (2002) BindingDB Entry DOI: 10.7270/Q2930SHP
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11694 ((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...) Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C13H21N3O/c14-9-11-7-4-8-16(11)13(17)12(15)10-5-2-1-3-6-10/h10-12H,1-8,15H2/t11-,12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human dipeptidyl peptidase IV (DPP IV) obtained from human colonic carcinoma cells				J Med Chem 46: 2774-89 (2003) Article DOI: 10.1021/jm030091l BindingDB Entry DOI: 10.7270/Q20001HR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Rattus norvegicus (rat))	BDBM50129889 (1-[2-(3-Hydroxy-adamantan-1-ylamino)-acetyl]-pyrro...) Show SMILES O[C@]12C[C@@H]3C[C@H](C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N |TLB:4:3:10:5.7.6,4:5:10:3.9.2,THB:2:1:7:3.9.4,2:3:7:1.10.6| Show InChI InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12-,13+,14-,16?,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity against Dipeptidyl peptidase IV (DPP-IV) obtained from rat plasma				J Med Chem 46: 2774-89 (2003) Article DOI: 10.1021/jm030091l BindingDB Entry DOI: 10.7270/Q20001HR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50129889 (1-[2-(3-Hydroxy-adamantan-1-ylamino)-acetyl]-pyrro...) Show SMILES O[C@]12C[C@@H]3C[C@H](C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N |TLB:4:3:10:5.7.6,4:5:10:3.9.2,THB:2:1:7:3.9.4,2:3:7:1.10.6| Show InChI InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12-,13+,14-,16?,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity against Dipeptidyl peptidase IV (DPP-IV) obtained from human plasma				J Med Chem 46: 2774-89 (2003) Article DOI: 10.1021/jm030091l BindingDB Entry DOI: 10.7270/Q20001HR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Rattus norvegicus (rat))	BDBM11694 ((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...) Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C13H21N3O/c14-9-11-7-4-8-16(11)13(17)12(15)10-5-2-1-3-6-10/h10-12H,1-8,15H2/t11-,12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Dipeptidyl peptidase IV (DPP-IV) extracted from rat plasma				J Med Chem 45: 2362-5 (2002) BindingDB Entry DOI: 10.7270/Q2930SHP
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Rattus norvegicus (rat))	BDBM11694 ((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...) Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C13H21N3O/c14-9-11-7-4-8-16(11)13(17)12(15)10-5-2-1-3-6-10/h10-12H,1-8,15H2/t11-,12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity against Dipeptidyl peptidase IV (DPP-IV) obtained from rat plasma				J Med Chem 46: 2774-89 (2003) Article DOI: 10.1021/jm030091l BindingDB Entry DOI: 10.7270/Q20001HR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50129945 (1-[2-(Adamantan-1-ylamino)-acetyl]-pyrrolidine-2-c...) Show SMILES O=C(CNC12C[C@H]3C[C@H](C[C@H](C3)C1)C2)N1CCC[C@H]1C#N |TLB:11:6:13:10.12.9,11:10:13:6.5.7| Show InChI InChI=1S/C17H25N3O/c18-10-15-2-1-3-20(15)16(21)11-19-17-7-12-4-13(8-17)6-14(5-12)9-17/h12-15,19H,1-9,11H2/t12-,13+,14-,15-,17?/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	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human dipeptidyl peptidase IV (DPP IV) obtained from human colonic carcinoma cells				J Med Chem 46: 2774-89 (2003) Article DOI: 10.1021/jm030091l BindingDB Entry DOI: 10.7270/Q20001HR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11694 ((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...) Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C13H21N3O/c14-9-11-7-4-8-16(11)13(17)12(15)10-5-2-1-3-6-10/h10-12H,1-8,15H2/t11-,12-/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	3.15	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity against Dipeptidyl peptidase IV (DPP-IV) obtained from human plasma				J Med Chem 46: 2774-89 (2003) Article DOI: 10.1021/jm030091l BindingDB Entry DOI: 10.7270/Q20001HR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11694 ((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...) Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C13H21N3O/c14-9-11-7-4-8-16(11)13(17)12(15)10-5-2-1-3-6-10/h10-12H,1-8,15H2/t11-,12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Dipeptidyl peptidase IV (DPP-IV) extracted from human plasma				J Med Chem 45: 2362-5 (2002) BindingDB Entry DOI: 10.7270/Q2930SHP
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50129889 (1-[2-(3-Hydroxy-adamantan-1-ylamino)-acetyl]-pyrro...) Show SMILES O[C@]12C[C@@H]3C[C@H](C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N |TLB:4:3:10:5.7.6,4:5:10:3.9.2,THB:2:1:7:3.9.4,2:3:7:1.10.6| Show InChI InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12-,13+,14-,16?,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human dipeptidyl peptidase IV (DPP IV) obtained from human colonic carcinoma cells				J Med Chem 46: 2774-89 (2003) Article DOI: 10.1021/jm030091l BindingDB Entry DOI: 10.7270/Q20001HR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50129884 (6-{4-[2-(2-Cyano-pyrrolidin-1-yl)-2-oxo-ethylamino...) Show SMILES O=C(CNC1CC[C@@H](CC1)Nc1ccc(cn1)C#N)N1CCC[C@H]1C#N |wD:23.26,7.10,(9.43,3.59,;9.76,2.08,;8.61,1.04,;7.14,1.51,;6,.47,;6,-1.07,;4.67,-1.83,;3.34,-1.07,;3.34,.47,;4.67,1.25,;2.01,-1.83,;1.99,-3.37,;.66,-4.13,;.65,-5.67,;1.98,-6.45,;3.32,-5.68,;3.32,-4.14,;1.98,-7.99,;1.97,-9.53,;11.23,1.6,;11.71,.13,;13.25,.13,;13.73,1.6,;12.48,2.51,;13.24,3.85,;14,5.2,)| Show InChI InChI=1S/C19H24N6O/c20-10-14-3-8-18(23-12-14)24-16-6-4-15(5-7-16)22-13-19(26)25-9-1-2-17(25)11-21/h3,8,12,15-17,22H,1-2,4-7,9,13H2,(H,23,24)/t15?,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	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human dipeptidyl peptidase IV (DPP IV) obtained from human colonic carcinoma cells				J Med Chem 46: 2774-89 (2003) Article DOI: 10.1021/jm030091l BindingDB Entry DOI: 10.7270/Q20001HR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Rattus norvegicus (rat))	BDBM11113 (6-{[2-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl...) Show SMILES O=C(CNCCNc1ccc(cn1)C#N)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C15H18N6O/c16-8-12-3-4-14(20-10-12)19-6-5-18-11-15(22)21-7-1-2-13(21)9-17/h3-4,10,13,18H,1-2,5-7,11H2,(H,19,20)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity against Dipeptidyl peptidase IV (DPP IV) obtained from rat plasma				J Med Chem 46: 2774-89 (2003) Article DOI: 10.1021/jm030091l BindingDB Entry DOI: 10.7270/Q20001HR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Rattus norvegicus (rat))	BDBM11113 (6-{[2-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl...) Show SMILES O=C(CNCCNc1ccc(cn1)C#N)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C15H18N6O/c16-8-12-3-4-14(20-10-12)19-6-5-18-11-15(22)21-7-1-2-13(21)9-17/h3-4,10,13,18H,1-2,5-7,11H2,(H,19,20)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Dipeptidyl peptidase IV (DPP-IV) extracted from rat plasma.				J Med Chem 45: 2362-5 (2002) BindingDB Entry DOI: 10.7270/Q2930SHP
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50129868 (1-{2-[4-(5-Trifluoromethyl-pyridin-2-ylamino)-cycl...) Show SMILES FC(F)(F)c1ccc(N[C@H]2CCC(CC2)NCC(=O)N2CCC[C@H]2C#N)nc1 |wD:23.25,9.8,(-6.88,-9.92,;-6.86,-8.52,;-8.11,-9.52,;-5.62,-9.54,;-6.85,-6.98,;-8.18,-6.2,;-8.18,-4.66,;-6.83,-3.92,;-6.82,-2.38,;-5.48,-1.61,;-4.16,-2.38,;-2.84,-1.61,;-2.84,-.08,;-4.16,.69,;-5.48,-.08,;-1.71,.95,;-.25,.48,;.91,1.53,;.58,3.02,;2.37,1.05,;2.85,-.43,;4.4,-.43,;4.87,1.05,;3.61,1.95,;4.38,3.3,;5.13,4.63,;-5.51,-4.68,;-5.51,-6.21,)| Show InChI InChI=1S/C19H24F3N5O/c20-19(21,22)13-3-8-17(25-11-13)26-15-6-4-14(5-7-15)24-12-18(28)27-9-1-2-16(27)10-23/h3,8,11,14-16,24H,1-2,4-7,9,12H2,(H,25,26)/t14?,15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human dipeptidyl peptidase IV (DPP IV) obtained from human colonic carcinoma cells				J Med Chem 46: 2774-89 (2003) Article DOI: 10.1021/jm030091l BindingDB Entry DOI: 10.7270/Q20001HR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11113 (6-{[2-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl...) Show SMILES O=C(CNCCNc1ccc(cn1)C#N)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C15H18N6O/c16-8-12-3-4-14(20-10-12)19-6-5-18-11-15(22)21-7-1-2-13(21)9-17/h3-4,10,13,18H,1-2,5-7,11H2,(H,19,20)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity against Dipeptidyl peptidase IV (DPP IV) obtained from human plasma				J Med Chem 46: 2774-89 (2003) Article DOI: 10.1021/jm030091l BindingDB Entry DOI: 10.7270/Q20001HR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50129865 (1-[2-(3-Ethyl-adamantan-1-ylamino)-acetyl]-pyrroli...) Show SMILES CC[C@]12C[C@@H]3C[C@H](C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N |TLB:5:6:11:4.10.3,5:4:11:6.8.7,THB:3:2:8:4.10.5,3:4:8:2.11.7| Show InChI InChI=1S/C19H29N3O/c1-2-18-7-14-6-15(8-18)10-19(9-14,13-18)21-12-17(23)22-5-3-4-16(22)11-20/h14-16,21H,2-10,12-13H2,1H3/t14-,15+,16-,18-,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	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human dipeptidyl peptidase IV (DPP IV) obtained from human colonic carcinoma cells				J Med Chem 46: 2774-89 (2003) Article DOI: 10.1021/jm030091l BindingDB Entry DOI: 10.7270/Q20001HR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11113 (6-{[2-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl...) Show SMILES O=C(CNCCNc1ccc(cn1)C#N)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C15H18N6O/c16-8-12-3-4-14(20-10-12)19-6-5-18-11-15(22)21-7-1-2-13(21)9-17/h3-4,10,13,18H,1-2,5-7,11H2,(H,19,20)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Dipeptidyl peptidase IV (DPP-IV) extracted from human plasma.				J Med Chem 45: 2362-5 (2002) BindingDB Entry DOI: 10.7270/Q2930SHP
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50113678 (1-{2-[2-(5-Nitro-pyridin-2-ylamino)-ethylamino]-ac...) Show SMILES [O-][N+](=O)c1ccc(NCCNCC(=O)N2CCC[C@H]2C#N)nc1 Show InChI InChI=1S/C14H18N6O3/c15-8-11-2-1-7-19(11)14(21)10-16-5-6-17-13-4-3-12(9-18-13)20(22)23/h3-4,9,11,16H,1-2,5-7,10H2,(H,17,18)/t11-/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	8	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human dipeptidyl peptidase IV (DPP IV) obtained from human colonic carcinoma cells				J Med Chem 46: 2774-89 (2003) Article DOI: 10.1021/jm030091l BindingDB Entry DOI: 10.7270/Q20001HR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50113678 (1-{2-[2-(5-Nitro-pyridin-2-ylamino)-ethylamino]-ac...) Show SMILES [O-][N+](=O)c1ccc(NCCNCC(=O)N2CCC[C@H]2C#N)nc1 Show InChI InChI=1S/C14H18N6O3/c15-8-11-2-1-7-19(11)14(21)10-16-5-6-17-13-4-3-12(9-18-13)20(22)23/h3-4,9,11,16H,1-2,5-7,10H2,(H,17,18)/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Dipeptidyl peptidase IV (DPP-IV) extracted from Caco-2 cells				J Med Chem 45: 2362-5 (2002) BindingDB Entry DOI: 10.7270/Q2930SHP
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50113678 (1-{2-[2-(5-Nitro-pyridin-2-ylamino)-ethylamino]-ac...) Show SMILES [O-][N+](=O)c1ccc(NCCNCC(=O)N2CCC[C@H]2C#N)nc1 Show InChI InChI=1S/C14H18N6O3/c15-8-11-2-1-7-19(11)14(21)10-16-5-6-17-13-4-3-12(9-18-13)20(22)23/h3-4,9,11,16H,1-2,5-7,10H2,(H,17,18)/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Dipeptidyl peptidase IV (DPP-IV) extracted from human plasma				J Med Chem 45: 2362-5 (2002) BindingDB Entry DOI: 10.7270/Q2930SHP
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50113678 (1-{2-[2-(5-Nitro-pyridin-2-ylamino)-ethylamino]-ac...) Show SMILES [O-][N+](=O)c1ccc(NCCNCC(=O)N2CCC[C@H]2C#N)nc1 Show InChI InChI=1S/C14H18N6O3/c15-8-11-2-1-7-19(11)14(21)10-16-5-6-17-13-4-3-12(9-18-13)20(22)23/h3-4,9,11,16H,1-2,5-7,10H2,(H,17,18)/t11-/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	8.73	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity against Dipeptidyl peptidase IV (DPP IV) obtained from human plasma				J Med Chem 46: 2774-89 (2003) Article DOI: 10.1021/jm030091l BindingDB Entry DOI: 10.7270/Q20001HR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50129898 (1-{2-[4-(Benzothiazol-2-ylamino)-cyclohexylamino]-...) Show SMILES O=C(CNC1CC[C@@H](CC1)Nc1nc2ccccc2s1)N1CCC[C@H]1C#N |wD:24.28,7.10,(.52,3.61,;.85,2.1,;-.3,1.07,;-1.77,1.53,;-2.91,.49,;-2.91,-1.05,;-4.24,-1.8,;-5.55,-1.05,;-5.55,.49,;-4.24,1.28,;-6.9,-1.8,;-6.91,-3.34,;-8.16,-4.25,;-7.69,-5.72,;-8.46,-7.03,;-7.69,-8.38,;-6.15,-8.36,;-5.38,-7.05,;-6.15,-5.72,;-5.66,-4.25,;2.32,1.63,;2.8,.16,;4.35,.16,;4.83,1.63,;3.57,2.54,;4.32,3.89,;5.09,5.22,)| Show InChI InChI=1S/C20H25N5OS/c21-12-16-4-3-11-25(16)19(26)13-22-14-7-9-15(10-8-14)23-20-24-17-5-1-2-6-18(17)27-20/h1-2,5-6,14-16,22H,3-4,7-11,13H2,(H,23,24)/t14?,15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human dipeptidyl peptidase IV (DPP IV) obtained from human colonic carcinoma cells				J Med Chem 46: 2774-89 (2003) Article DOI: 10.1021/jm030091l BindingDB Entry DOI: 10.7270/Q20001HR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50129909 (1-[2-(Adamantan-2-ylamino)-acetyl]-pyrrolidine-2-c...) Show SMILES O=C(CNC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)N1CCC[C@H]1C#N |TLB:3:4:10:7.12.8,THB:8:9:4:7.6.12,6:5:10:7.12.8,6:7:5.4.13:10| Show InChI InChI=1S/C17H25N3O/c18-9-15-2-1-3-20(15)16(21)10-19-17-13-5-11-4-12(7-13)8-14(17)6-11/h11-15,17,19H,1-8,10H2/t11-,12+,13-,14+,15-,17?/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	13	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human dipeptidyl peptidase IV (DPP IV) obtained from human colonic carcinoma cells				J Med Chem 46: 2774-89 (2003) Article DOI: 10.1021/jm030091l BindingDB Entry DOI: 10.7270/Q20001HR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50129925 (1-{2-[4-(4-Chloro-phenoxy)-cyclohexylamino]-acetyl...) Show SMILES Clc1ccc(O[C@H]2CCC(CC2)NCC(=O)N2CCC[C@H]2C#N)cc1 |wD:20.22,6.5,(-7.99,-6.63,;-7.97,-5.09,;-9.3,-4.32,;-9.3,-2.78,;-7.97,-2.01,;-7.95,-.47,;-6.6,.3,;-5.29,-.47,;-3.96,.3,;-3.96,1.83,;-5.29,2.6,;-6.6,1.83,;-2.81,2.87,;-1.35,2.39,;-.2,3.44,;-.53,4.95,;1.27,2.96,;1.75,1.49,;3.3,1.49,;3.78,2.96,;2.52,3.86,;3.29,5.22,;4.04,6.57,;-6.62,-2.78,;-6.62,-4.32,)| Show InChI InChI=1S/C19H24ClN3O2/c20-14-3-7-17(8-4-14)25-18-9-5-15(6-10-18)22-13-19(24)23-11-1-2-16(23)12-21/h3-4,7-8,15-16,18,22H,1-2,5-6,9-11,13H2/t15?,16-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human dipeptidyl peptidase IV (DPP IV) obtained from human colonic carcinoma cells				J Med Chem 46: 2774-89 (2003) Article DOI: 10.1021/jm030091l BindingDB Entry DOI: 10.7270/Q20001HR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50129912 (1-[2-(Bicyclo[2.2.1]hept-2-ylamino)-acetyl]-pyrrol...) Show SMILES O=C(CNC1CC2CCC1C2)N1CCC[C@H]1C#N |TLB:3:4:10:8.7| Show InChI InChI=1S/C14H21N3O/c15-8-12-2-1-5-17(12)14(18)9-16-13-7-10-3-4-11(13)6-10/h10-13,16H,1-7,9H2/t10?,11?,12-,13?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human dipeptidyl peptidase IV (DPP IV) obtained from human colonic carcinoma cells				J Med Chem 46: 2774-89 (2003) Article DOI: 10.1021/jm030091l BindingDB Entry DOI: 10.7270/Q20001HR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50129900 ((1R,2R,3R,5S)1-[2-(2,6,6-Trimethyl-bicyclo[3.1.1]h...) Show SMILES CC1C2CC(CC1NCC(=O)N1CCC[C@H]1C#N)C2(C)C Show InChI InChI=1S/C17H27N3O/c1-11-14-7-12(17(14,2)3)8-15(11)19-10-16(21)20-6-4-5-13(20)9-18/h11-15,19H,4-8,10H2,1-3H3/t11?,12?,13-,14?,15?/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	16	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human dipeptidyl peptidase IV (DPP IV) obtained from human colonic carcinoma cells				J Med Chem 46: 2774-89 (2003) Article DOI: 10.1021/jm030091l BindingDB Entry DOI: 10.7270/Q20001HR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Rattus norvegicus (rat))	BDBM50113678 (1-{2-[2-(5-Nitro-pyridin-2-ylamino)-ethylamino]-ac...) Show SMILES [O-][N+](=O)c1ccc(NCCNCC(=O)N2CCC[C@H]2C#N)nc1 Show InChI InChI=1S/C14H18N6O3/c15-8-11-2-1-7-19(11)14(21)10-16-5-6-17-13-4-3-12(9-18-13)20(22)23/h3-4,9,11,16H,1-2,5-7,10H2,(H,17,18)/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Dipeptidyl peptidase IV (DPP-IV) extracted from rat plasma				J Med Chem 45: 2362-5 (2002) BindingDB Entry DOI: 10.7270/Q2930SHP
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50129943 (1-[2-(3,5-Dimethyl-adamantan-1-ylamino)-acetyl]-py...) Show SMILES C[C@@]12C[C@H]3C[C@@](C)(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N |TLB:4:5:11:3.10.2,4:3:11:5.8.7,0:1:8:3.10.4,THB:2:1:8:3.10.4,2:3:8:1.11.7| Show InChI InChI=1S/C19H29N3O/c1-17-6-14-7-18(2,11-17)13-19(8-14,12-17)21-10-16(23)22-5-3-4-15(22)9-20/h14-15,21H,3-8,10-13H2,1-2H3/t14-,15-,17+,18-,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	17	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human dipeptidyl peptidase IV (DPP IV) obtained from human colonic carcinoma cells				J Med Chem 46: 2774-89 (2003) Article DOI: 10.1021/jm030091l BindingDB Entry DOI: 10.7270/Q20001HR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Rattus norvegicus (rat))	BDBM50113678 (1-{2-[2-(5-Nitro-pyridin-2-ylamino)-ethylamino]-ac...) Show SMILES [O-][N+](=O)c1ccc(NCCNCC(=O)N2CCC[C@H]2C#N)nc1 Show InChI InChI=1S/C14H18N6O3/c15-8-11-2-1-7-19(11)14(21)10-16-5-6-17-13-4-3-12(9-18-13)20(22)23/h3-4,9,11,16H,1-2,5-7,10H2,(H,17,18)/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17.3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity against Dipeptidyl peptidase IV (DPP IV) obtained from rat plasma				J Med Chem 46: 2774-89 (2003) Article DOI: 10.1021/jm030091l BindingDB Entry DOI: 10.7270/Q20001HR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50129926 (CHEMBL92021 | Cyclohexanecarboxylic acid {4-[2-(2-...) Show SMILES O=C(CNC1CC[C@@H](CC1)NC(=O)C1CCCCC1)N1CCC[C@H]1C#N |wD:7.10,23.26,(-.06,4.36,;.26,2.86,;-.88,1.81,;-2.35,2.29,;-3.49,1.25,;-3.49,-.29,;-4.82,-1.06,;-6.14,-.29,;-6.14,1.25,;-4.82,2.02,;-7.48,-1.06,;-7.51,-2.6,;-6.16,-3.37,;-8.84,-3.36,;-8.84,-4.88,;-10.19,-5.65,;-11.49,-4.86,;-11.49,-3.32,;-10.17,-2.57,;1.73,2.38,;2.22,.9,;3.76,.9,;4.25,2.38,;2.99,3.28,;3.74,4.64,;4.51,5.99,)| Show InChI InChI=1S/C20H32N4O2/c21-13-18-7-4-12-24(18)19(25)14-22-16-8-10-17(11-9-16)23-20(26)15-5-2-1-3-6-15/h15-18,22H,1-12,14H2,(H,23,26)/t16?,17-,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	18	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human dipeptidyl peptidase IV (DPP IV) obtained from human colonic carcinoma cells				J Med Chem 46: 2774-89 (2003) Article DOI: 10.1021/jm030091l BindingDB Entry DOI: 10.7270/Q20001HR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50129872 (CHEMBL319115 | tert-Butyl-carbamic acid 3-[2-(2-cy...) Show SMILES CC(C)(C)NC(=O)O[C@]12C[C@H]3C[C@H](CC(C3)(C1)NCC(=O)N1CCC[C@H]1C#N)C2 |TLB:28:8:15:12.13.11,11:12:16:10.15.9,THB:28:12:15:8.16.9,11:10:16:12.13.28| Show InChI InChI=1S/C22H34N4O3/c1-20(2,3)25-19(28)29-22-10-15-7-16(11-22)9-21(8-15,14-22)24-13-18(27)26-6-4-5-17(26)12-23/h15-17,24H,4-11,13-14H2,1-3H3,(H,25,28)/t15-,16+,17-,21?,22-/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	22	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human dipeptidyl peptidase IV (DPP IV) obtained from human colonic carcinoma cells				J Med Chem 46: 2774-89 (2003) Article DOI: 10.1021/jm030091l BindingDB Entry DOI: 10.7270/Q20001HR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11113 (6-{[2-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl...) Show SMILES O=C(CNCCNc1ccc(cn1)C#N)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C15H18N6O/c16-8-12-3-4-14(20-10-12)19-6-5-18-11-15(22)21-7-1-2-13(21)9-17/h3-4,10,13,18H,1-2,5-7,11H2,(H,19,20)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human dipeptidyl peptidase IV (DPP IV) obtained from human colonic carcinoma cells				J Med Chem 46: 2774-89 (2003) Article DOI: 10.1021/jm030091l BindingDB Entry DOI: 10.7270/Q20001HR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11113 (6-{[2-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl...) Show SMILES O=C(CNCCNc1ccc(cn1)C#N)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C15H18N6O/c16-8-12-3-4-14(20-10-12)19-6-5-18-11-15(22)21-7-1-2-13(21)9-17/h3-4,10,13,18H,1-2,5-7,11H2,(H,19,20)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Dipeptidyl peptidase IV (DPP-IV) extracted from Caco-2 cells.				J Med Chem 45: 2362-5 (2002) BindingDB Entry DOI: 10.7270/Q2930SHP
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50129908 (1-[2-(1-Cyclohexanecarbonyl-piperidin-4-ylamino)-a...) Show SMILES O=C(CNC1CCN(CC1)C(=O)C1CCCCC1)N1CCC[C@H]1C#N Show InChI InChI=1S/C19H30N4O2/c20-13-17-7-4-10-23(17)18(24)14-21-16-8-11-22(12-9-16)19(25)15-5-2-1-3-6-15/h15-17,21H,1-12,14H2/t17-/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	23	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of human dipeptidyl peptidase IV (DPP IV) obtained from human colonic carcinoma cells				J Med Chem 46: 2774-89 (2003) Article DOI: 10.1021/jm030091l BindingDB Entry DOI: 10.7270/Q20001HR
					More data for this Ligand-Target Pair

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