Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 1616   

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))	BDBM12656 (((4R,5S)-5-Amino-4-(2,4,5-trifluorophenyl)cyclohex...) Show SMILES [NH3+][C@H]1CC(=CC[C@@H]1c1cc(F)c(F)cc1F)C(=O)N1CCn2c(C1)nnc2C(F)(F)F |r,c:3| Show InChI InChI=1S/C19H17F6N5O/c20-12-7-14(22)13(21)6-11(12)10-2-1-9(5-15(10)26)17(31)29-3-4-30-16(8-29)27-28-18(30)19(23,24)25/h1,6-7,10,15H,2-5,8,26H2/p+1/t10-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.30	-50.2	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				J Med Chem 49: 6439-42 (2006) Article DOI: 10.1021/jm060955d BindingDB Entry DOI: 10.7270/Q2G73BXR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM12654 ((1S,6R)-3-(3-carbamoylphenoxymethyl)-6-(2,4,5-trif...) Show SMILES NC(=O)c1cccc(OCC2=CC[C@@H]([C@@H]([NH3+])C2)c2cc(F)c(F)cc2F)c1 |r,t:10| Show InChI InChI=1S/C20H19F3N2O2/c21-16-9-18(23)17(22)8-15(16)14-5-4-11(6-19(14)24)10-27-13-3-1-2-12(7-13)20(25)26/h1-4,7-9,14,19H,5-6,10,24H2,(H2,25,26)/p+1/t14-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.60	-47.7	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				J Med Chem 49: 6439-42 (2006) Article DOI: 10.1021/jm060955d BindingDB Entry DOI: 10.7270/Q2G73BXR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM12655 ((1S,6R)-3-[(3-carbamoylphenyl)carbamoyl]-6-(2,4,5-...) Show SMILES NC(=O)c1cccc(NC(=O)C2=CC[C@@H]([C@@H]([NH3+])C2)c2cc(F)c(F)cc2F)c1 |r,t:11| Show InChI InChI=1S/C20H18F3N3O2/c21-15-9-17(23)16(22)8-14(15)13-5-4-11(7-18(13)24)20(28)26-12-3-1-2-10(6-12)19(25)27/h1-4,6,8-9,13,18H,5,7,24H2,(H2,25,27)(H,26,28)/p+1/t13-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.70	-47.1	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				J Med Chem 49: 6439-42 (2006) Article DOI: 10.1021/jm060955d BindingDB Entry DOI: 10.7270/Q2G73BXR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM12653 ((1S,6R)-3-{[(3-carbamoylphenyl)amino]methyl}-6-(2,...) Show SMILES NC(=O)c1cccc(NCC2=CC[C@@H]([C@@H]([NH3+])C2)c2cc(F)c(F)cc2F)c1 |r,t:10| Show InChI InChI=1S/C20H20F3N3O/c21-16-9-18(23)17(22)8-15(16)14-5-4-11(6-19(14)24)10-26-13-3-1-2-12(7-13)20(25)27/h1-4,7-9,14,19,26H,5-6,10,24H2,(H2,25,27)/p+1/t14-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6	-46.5	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				J Med Chem 49: 6439-42 (2006) Article DOI: 10.1021/jm060955d BindingDB Entry DOI: 10.7270/Q2G73BXR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM12652 ((1S,6R)-3-(1,2,3,4-tetrahydroisoquinolin-2-ylmethy...) Show SMILES [NH3+][C@H]1CC(CN2CCc3ccccc3C2)=CC[C@@H]1c1cc(F)c(F)cc1F |r,c:16| Show InChI InChI=1S/C22H23F3N2/c23-19-11-21(25)20(24)10-18(19)17-6-5-14(9-22(17)26)12-27-8-7-15-3-1-2-4-16(15)13-27/h1-5,10-11,17,22H,6-9,12-13,26H2/p+1/t17-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	-44.8	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				J Med Chem 49: 6439-42 (2006) Article DOI: 10.1021/jm060955d BindingDB Entry DOI: 10.7270/Q2G73BXR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM12651 ((1S,6R)-3-[(4-carboxypiperidin-1-yl)methyl]-6-(2,4...) Show SMILES [NH3+][C@H]1CC(CN2CCC(CC2)C(O)=O)=CC[C@@H]1c1ccc(Cl)cc1Cl |r,c:14| Show InChI InChI=1S/C19H24Cl2N2O2/c20-14-2-4-15(17(21)10-14)16-3-1-12(9-18(16)22)11-23-7-5-13(6-8-23)19(24)25/h1-2,4,10,13,16,18H,3,5-9,11,22H2,(H,24,25)/p+1/t16-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	45	-41.5	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				J Med Chem 49: 6439-42 (2006) Article DOI: 10.1021/jm060955d BindingDB Entry DOI: 10.7270/Q2G73BXR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM12652 ((1S,6R)-3-(1,2,3,4-tetrahydroisoquinolin-2-ylmethy...) Show SMILES [NH3+][C@H]1CC(CN2CCc3ccccc3C2)=CC[C@@H]1c1cc(F)c(F)cc1F |r,c:16| Show InChI InChI=1S/C22H23F3N2/c23-19-11-21(25)20(24)10-18(19)17-6-5-14(9-22(17)26)12-27-8-7-15-3-1-2-4-16(15)13-27/h1-5,10-11,17,22H,6-9,12-13,26H2/p+1/t17-,22+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	73	-40.3	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				J Med Chem 49: 6439-42 (2006) Article DOI: 10.1021/jm060955d BindingDB Entry DOI: 10.7270/Q2G73BXR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM12650 ((1S,6R)-6-(2-chlorophenyl)-3-phenylcyclohex-3-en-1...) Show SMILES [NH3+][C@H]1CC(=CC[C@@H]1c1ccccc1Cl)c1ccccc1 |r,c:3| Show InChI InChI=1S/C18H18ClN/c19-17-9-5-4-8-15(17)16-11-10-14(12-18(16)20)13-6-2-1-3-7-13/h1-10,16,18H,11-12,20H2/p+1/t16-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<140	<-38.7	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				J Med Chem 49: 6439-42 (2006) Article DOI: 10.1021/jm060955d BindingDB Entry DOI: 10.7270/Q2G73BXR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 8 (Homo sapiens (Human))	BDBM12653 ((1S,6R)-3-{[(3-carbamoylphenyl)amino]methyl}-6-(2,...) Show SMILES NC(=O)c1cccc(NCC2=CC[C@@H]([C@@H]([NH3+])C2)c2cc(F)c(F)cc2F)c1 |r,t:10| Show InChI InChI=1S/C20H20F3N3O/c21-16-9-18(23)17(22)8-15(16)14-5-4-11(6-19(14)24)10-26-13-3-1-2-12(7-13)20(25)27/h1-4,7-9,14,19,26H,5-6,10,24H2,(H2,25,27)/p+1/t14-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	230	-37.5	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				J Med Chem 49: 6439-42 (2006) Article DOI: 10.1021/jm060955d BindingDB Entry DOI: 10.7270/Q2G73BXR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 8 (Homo sapiens (Human))	BDBM12652 ((1S,6R)-3-(1,2,3,4-tetrahydroisoquinolin-2-ylmethy...) Show SMILES [NH3+][C@H]1CC(CN2CCc3ccccc3C2)=CC[C@@H]1c1cc(F)c(F)cc1F |r,c:16| Show InChI InChI=1S/C22H23F3N2/c23-19-11-21(25)20(24)10-18(19)17-6-5-14(9-22(17)26)12-27-8-7-15-3-1-2-4-16(15)13-27/h1-5,10-11,17,22H,6-9,12-13,26H2/p+1/t17-,22+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	310	-36.8	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				J Med Chem 49: 6439-42 (2006) Article DOI: 10.1021/jm060955d BindingDB Entry DOI: 10.7270/Q2G73BXR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM12654 ((1S,6R)-3-(3-carbamoylphenoxymethyl)-6-(2,4,5-trif...) Show SMILES NC(=O)c1cccc(OCC2=CC[C@@H]([C@@H]([NH3+])C2)c2cc(F)c(F)cc2F)c1 |r,t:10| Show InChI InChI=1S/C20H19F3N2O2/c21-16-9-18(23)17(22)8-15(16)14-5-4-11(6-19(14)24)10-27-13-3-1-2-12(7-13)20(25)26/h1-4,7-9,14,19H,5-6,10,24H2,(H2,25,26)/p+1/t14-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	430	-36.0	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				J Med Chem 49: 6439-42 (2006) Article DOI: 10.1021/jm060955d BindingDB Entry DOI: 10.7270/Q2G73BXR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM12653 ((1S,6R)-3-{[(3-carbamoylphenyl)amino]methyl}-6-(2,...) Show SMILES NC(=O)c1cccc(NCC2=CC[C@@H]([C@@H]([NH3+])C2)c2cc(F)c(F)cc2F)c1 |r,t:10| Show InChI InChI=1S/C20H20F3N3O/c21-16-9-18(23)17(22)8-15(16)14-5-4-11(6-19(14)24)10-26-13-3-1-2-12(7-13)20(25)27/h1-4,7-9,14,19,26H,5-6,10,24H2,(H2,25,27)/p+1/t14-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	500	-35.6	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				J Med Chem 49: 6439-42 (2006) Article DOI: 10.1021/jm060955d BindingDB Entry DOI: 10.7270/Q2G73BXR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 8 (Homo sapiens (Human))	BDBM12654 ((1S,6R)-3-(3-carbamoylphenoxymethyl)-6-(2,4,5-trif...) Show SMILES NC(=O)c1cccc(OCC2=CC[C@@H]([C@@H]([NH3+])C2)c2cc(F)c(F)cc2F)c1 |r,t:10| Show InChI InChI=1S/C20H19F3N2O2/c21-16-9-18(23)17(22)8-15(16)14-5-4-11(6-19(14)24)10-27-13-3-1-2-12(7-13)20(25)26/h1-4,7-9,14,19H,5-6,10,24H2,(H2,25,26)/p+1/t14-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	560	-35.3	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				J Med Chem 49: 6439-42 (2006) Article DOI: 10.1021/jm060955d BindingDB Entry DOI: 10.7270/Q2G73BXR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM12649 ((1S,6R)-6-(2-chlorophenyl)cyclohex-3-en-1-amine | ...) Show SMILES N[C@H]1CC=CC[C@@H]1c1ccccc1Cl |r,c:3| Show InChI InChI=1S/C12H14ClN/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-5,7,10,12H,6,8,14H2/t10-,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	820	-34.4	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				J Med Chem 49: 6439-42 (2006) Article DOI: 10.1021/jm060955d BindingDB Entry DOI: 10.7270/Q2G73BXR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM12656 (((4R,5S)-5-Amino-4-(2,4,5-trifluorophenyl)cyclohex...) Show SMILES [NH3+][C@H]1CC(=CC[C@@H]1c1cc(F)c(F)cc1F)C(=O)N1CCn2c(C1)nnc2C(F)(F)F |r,c:3| Show InChI InChI=1S/C19H17F6N5O/c20-12-7-14(22)13(21)6-11(12)10-2-1-9(5-15(10)26)17(31)29-3-4-30-16(8-29)27-28-18(30)19(23,24)25/h1,6-7,10,15H,2-5,8,26H2/p+1/t10-,15+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	-30.5	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				J Med Chem 49: 6439-42 (2006) Article DOI: 10.1021/jm060955d BindingDB Entry DOI: 10.7270/Q2G73BXR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 8 (Homo sapiens (Human))	BDBM12655 ((1S,6R)-3-[(3-carbamoylphenyl)carbamoyl]-6-(2,4,5-...) Show SMILES NC(=O)c1cccc(NC(=O)C2=CC[C@@H]([C@@H]([NH3+])C2)c2cc(F)c(F)cc2F)c1 |r,t:11| Show InChI InChI=1S/C20H18F3N3O2/c21-15-9-17(23)16(22)8-14(15)13-5-4-11(7-18(13)24)20(28)26-12-3-1-2-10(6-12)19(25)27/h1-4,6,8-9,13,18H,5,7,24H2,(H2,25,27)(H,26,28)/p+1/t13-,18+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.80E+3	-28.6	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				J Med Chem 49: 6439-42 (2006) Article DOI: 10.1021/jm060955d BindingDB Entry DOI: 10.7270/Q2G73BXR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM12655 ((1S,6R)-3-[(3-carbamoylphenyl)carbamoyl]-6-(2,4,5-...) Show SMILES NC(=O)c1cccc(NC(=O)C2=CC[C@@H]([C@@H]([NH3+])C2)c2cc(F)c(F)cc2F)c1 |r,t:11| Show InChI InChI=1S/C20H18F3N3O2/c21-15-9-17(23)16(22)8-14(15)13-5-4-11(7-18(13)24)20(28)26-12-3-1-2-10(6-12)19(25)27/h1-4,6,8-9,13,18H,5,7,24H2,(H2,25,27)(H,26,28)/p+1/t13-,18+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.40E+4	-27.4	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				J Med Chem 49: 6439-42 (2006) Article DOI: 10.1021/jm060955d BindingDB Entry DOI: 10.7270/Q2G73BXR
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 8 (Homo sapiens (Human))	BDBM12656 (((4R,5S)-5-Amino-4-(2,4,5-trifluorophenyl)cyclohex...) Show SMILES [NH3+][C@H]1CC(=CC[C@@H]1c1cc(F)c(F)cc1F)C(=O)N1CCn2c(C1)nnc2C(F)(F)F |r,c:3| Show InChI InChI=1S/C19H17F6N5O/c20-12-7-14(22)13(21)6-11(12)10-2-1-9(5-15(10)26)17(31)29-3-4-30-16(8-29)27-28-18(30)19(23,24)25/h1,6-7,10,15H,2-5,8,26H2/p+1/t10-,15+/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>3.00E+4	>-25.6	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				J Med Chem 49: 6439-42 (2006) Article DOI: 10.1021/jm060955d BindingDB Entry DOI: 10.7270/Q2G73BXR
					More data for this Ligand-Target Pair