Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50029820   

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))	BDBM50288303 ((R)-3-((S)-2-Amino-3-methyl-pentanoyl)-thiazolidin...) Show SMILES CCC(C)[C@H](N)C(=O)N1CSC[C@H]1C#N Show InChI InChI=1S/C10H17N3OS/c1-3-7(2)9(12)10(14)13-6-15-5-8(13)4-11/h7-9H,3,5-6,12H2,1-2H3/t7?,8-,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human Dipeptidyl peptidase IV				Bioorg Med Chem Lett 6: 2745-2748 (1996) Article DOI: 10.1016/S0960-894X(96)00491-X BindingDB Entry DOI: 10.7270/Q2MP537C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50288308 ((R)-3-(2-Amino-2-cyclopentyl-acetyl)-thiazolidine-...) Show SMILES NC(C1CCCC1)C(=O)N1CSC[C@H]1C#N Show InChI InChI=1S/C11H17N3OS/c12-5-9-6-16-7-14(9)11(15)10(13)8-3-1-2-4-8/h8-10H,1-4,6-7,13H2/t9-,10?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human Dipeptidyl peptidase IV				Bioorg Med Chem Lett 6: 2745-2748 (1996) Article DOI: 10.1016/S0960-894X(96)00491-X BindingDB Entry DOI: 10.7270/Q2MP537C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50288307 ((R)-3-(2-Amino-2-cyclohexyl-acetyl)-thiazolidine-4...) Show SMILES NC(C1CCCCC1)C(=O)N1CSC[C@H]1C#N Show InChI InChI=1S/C12H19N3OS/c13-6-10-7-17-8-15(10)12(16)11(14)9-4-2-1-3-5-9/h9-11H,1-5,7-8,14H2/t10-,11?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human Dipeptidyl peptidase IV				Bioorg Med Chem Lett 6: 2745-2748 (1996) Article DOI: 10.1016/S0960-894X(96)00491-X BindingDB Entry DOI: 10.7270/Q2MP537C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM11644 ((2S)-1-[(2S)-2-amino-2-cyclopentylacetyl]pyrrolidi...) Show SMILES N[C@@H](C1CCCC1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C12H19N3O/c13-8-10-6-3-7-15(10)12(16)11(14)9-4-1-2-5-9/h9-11H,1-7,14H2/t10-,11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human Dipeptidyl peptidase IV				Bioorg Med Chem Lett 6: 2745-2748 (1996) Article DOI: 10.1016/S0960-894X(96)00491-X BindingDB Entry DOI: 10.7270/Q2MP537C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50288298 ((S)-3-((S)-2-Amino-3-methyl-pentanoyl)-thiazolidin...) Show SMILES CCC(C)[C@H](N)C(=O)N1CCS[C@H]1C#N Show InChI InChI=1S/C10H17N3OS/c1-3-7(2)9(12)10(14)13-4-5-15-8(13)6-11/h7-9H,3-5,12H2,1-2H3/t7?,8-,9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human Dipeptidyl peptidase IV				Bioorg Med Chem Lett 6: 2745-2748 (1996) Article DOI: 10.1016/S0960-894X(96)00491-X BindingDB Entry DOI: 10.7270/Q2MP537C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50288299 ((S)-1-((S)-2-Amino-3-methyl-pentanoyl)-pyrrolidine...) Show SMILES CCC(C)[C@H](N)C(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C11H19N3O/c1-3-8(2)10(13)11(15)14-6-4-5-9(14)7-12/h8-10H,3-6,13H2,1-2H3/t8?,9-,10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human Dipeptidyl peptidase IV				Bioorg Med Chem Lett 6: 2745-2748 (1996) Article DOI: 10.1016/S0960-894X(96)00491-X BindingDB Entry DOI: 10.7270/Q2MP537C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50288297 (CHEMBL92175 | [5-Amino-1-((R)-4-cyano-thiazolidine...) Show SMILES NCCCCC(NC(=O)OCc1ccccc1)C(=O)N1CSC[C@H]1C#N Show InChI InChI=1S/C18H24N4O3S/c19-9-5-4-8-16(17(23)22-13-26-12-15(22)10-20)21-18(24)25-11-14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-9,11-13,19H2,(H,21,24)/t15-,16?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human Dipeptidyl peptidase IV				Bioorg Med Chem Lett 6: 2745-2748 (1996) Article DOI: 10.1016/S0960-894X(96)00491-X BindingDB Entry DOI: 10.7270/Q2MP537C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50288301 ((R)-3-((S)-2-Amino-3-methyl-pentanoyl)-1,1-dioxo-t...) Show SMILES CCC(C)[C@H](N)C(=O)N1CS(=O)(=O)C[C@H]1C#N |r| Show InChI InChI=1S/C10H17N3O3S/c1-3-7(2)9(12)10(14)13-6-17(15,16)5-8(13)4-11/h7-9H,3,5-6,12H2,1-2H3/t7?,8-,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human Dipeptidyl peptidase IV				Bioorg Med Chem Lett 6: 2745-2748 (1996) Article DOI: 10.1016/S0960-894X(96)00491-X BindingDB Entry DOI: 10.7270/Q2MP537C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50450427 (CHEMBL2115247) Show SMILES CC[C@H](C)[C@H](N)C(=O)N1C[S+]([O-])C[C@H]1C#N |r| Show InChI InChI=1S/C10H17N3O2S/c1-3-7(2)9(12)10(14)13-6-16(15)5-8(13)4-11/h7-9H,3,5-6,12H2,1-2H3/t7-,8+,9-,16?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human Dipeptidyl peptidase IV				Bioorg Med Chem Lett 6: 2745-2748 (1996) Article DOI: 10.1016/S0960-894X(96)00491-X BindingDB Entry DOI: 10.7270/Q2MP537C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50450427 (CHEMBL2115247) Show SMILES CC[C@H](C)[C@H](N)C(=O)N1C[S+]([O-])C[C@H]1C#N |r| Show InChI InChI=1S/C10H17N3O2S/c1-3-7(2)9(12)10(14)13-6-16(15)5-8(13)4-11/h7-9H,3,5-6,12H2,1-2H3/t7-,8+,9-,16?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human Dipeptidyl peptidase IV				Bioorg Med Chem Lett 6: 2745-2748 (1996) Article DOI: 10.1016/S0960-894X(96)00491-X BindingDB Entry DOI: 10.7270/Q2MP537C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50288306 ((S)-1-((S)-2-Amino-3-methyl-pentanoyl)-piperidine-...) Show SMILES CCC(C)[C@H](N)C(=O)N1CCCC[C@H]1C#N Show InChI InChI=1S/C12H21N3O/c1-3-9(2)11(14)12(16)15-7-5-4-6-10(15)8-13/h9-11H,3-7,14H2,1-2H3/t9?,10-,11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human Dipeptidyl peptidase IV				Bioorg Med Chem Lett 6: 2745-2748 (1996) Article DOI: 10.1016/S0960-894X(96)00491-X BindingDB Entry DOI: 10.7270/Q2MP537C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50288300 ((R)-3-((S)-2-Amino-3-methyl-pentanoyl)-oxazolidine...) Show SMILES CCC(C)[C@H](N)C(=O)N1COC[C@H]1C#N Show InChI InChI=1S/C10H17N3O2/c1-3-7(2)9(12)10(14)13-6-15-5-8(13)4-11/h7-9H,3,5-6,12H2,1-2H3/t7?,8-,9+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human Dipeptidyl peptidase IV				Bioorg Med Chem Lett 6: 2745-2748 (1996) Article DOI: 10.1016/S0960-894X(96)00491-X BindingDB Entry DOI: 10.7270/Q2MP537C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50288304 ((S)-1-((S)-2-Amino-3-methyl-pentanoyl)-2-methyl-py...) Show SMILES CCC(C)[C@H](N)C(=O)N1CCC[C@@]1(C)C#N Show InChI InChI=1S/C12H21N3O/c1-4-9(2)10(14)11(16)15-7-5-6-12(15,3)8-13/h9-10H,4-7,14H2,1-3H3/t9?,10-,12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human Dipeptidyl peptidase IV				Bioorg Med Chem Lett 6: 2745-2748 (1996) Article DOI: 10.1016/S0960-894X(96)00491-X BindingDB Entry DOI: 10.7270/Q2MP537C
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50288305 (3-((S)-2-Amino-3-methyl-pentanoyl)-[1,3]thiazinane...) Show SMILES CCC(C)[C@H](N)C(=O)N1CSCCC1C#N Show InChI InChI=1S/C11H19N3OS/c1-3-8(2)10(13)11(15)14-7-16-5-4-9(14)6-12/h8-10H,3-5,7,13H2,1-2H3/t8?,9?,10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human Dipeptidyl peptidase IV				Bioorg Med Chem Lett 6: 2745-2748 (1996) Article DOI: 10.1016/S0960-894X(96)00491-X BindingDB Entry DOI: 10.7270/Q2MP537C
					More data for this Ligand-Target Pair