Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 6873   

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
Neprilysin (Homo sapiens (Human))	BDBM155343 (US9006249, Example 49-2 | US9603819, Example 49-2) Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc(n[nH]1)C(O)=O)C(O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description See A fluorescence lifetime-based assay for protease inhibitor profiling on human kallikrein 7 Doering K, Meder G, Hinnenberger M, Woelcke J, Mayr L ...				US Patent US9006249 (2015) BindingDB Entry DOI: 10.7270/Q2NV9H0R
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM153121 (US8993631, 29-2 | US9006249, Example 49-1) Show SMILES C[C@@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc(O)no1)C(O)=O Show InChI InChI=1S/C22H21ClN2O5/c1-13(22(28)29)9-18(24-21(27)19-12-20(26)25-30-19)10-14-5-7-15(8-6-14)16-3-2-4-17(23)11-16/h2-8,11-13,18H,9-10H2,1H3,(H,24,27)(H,25,26)(H,28,29)/t13-,18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description See A fluorescence lifetime-based assay for protease inhibitor profiling on human kallikrein 7 Doering K, Meder G, Hinnenberger M, Woelcke J, Mayr L ...				US Patent US9006249 (2015) BindingDB Entry DOI: 10.7270/Q2NV9H0R
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM155344 (US9006249, Example 49-3 | US9603819, Example 49-3) Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1ccc(o1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C24H22ClNO6/c1-14(23(28)29)11-19(26-22(27)20-9-10-21(32-20)24(30)31)12-15-5-7-16(8-6-15)17-3-2-4-18(25)13-17/h2-10,13-14,19H,11-12H2,1H3,(H,26,27)(H,28,29)(H,30,31)/t14-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description See A fluorescence lifetime-based assay for protease inhibitor profiling on human kallikrein 7 Doering K, Meder G, Hinnenberger M, Woelcke J, Mayr L ...				US Patent US9006249 (2015) BindingDB Entry DOI: 10.7270/Q2NV9H0R
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM153108 (US8993631, 16-5 | US9006249, Example 3-32 | US9603...) Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)c1cc(ncn1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C24H23N3O5/c1-15(23(29)30)11-19(27-22(28)20-13-21(24(31)32)26-14-25-20)12-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,13-15,19H,11-12H2,1H3,(H,27,28)(H,29,30)(H,31,32)/t15-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description See A fluorescence lifetime-based assay for protease inhibitor profiling on human kallikrein 7 Doering K, Meder G, Hinnenberger M, Woelcke J, Mayr L ...				US Patent US9006249 (2015) BindingDB Entry DOI: 10.7270/Q2NV9H0R
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM153109 (US8993631, 16-8 | US9006249, Example 3-60) Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)c1c[nH]c(n1)C(O)=O)C(O)=O |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.30	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description See A fluorescence lifetime-based assay for protease inhibitor profiling on human kallikrein 7 Doering K, Meder G, Hinnenberger M, Woelcke J, Mayr L ...				US Patent US9006249 (2015) BindingDB Entry DOI: 10.7270/Q2NV9H0R
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM155342 (US9006249, Example 13-1) Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)c1nnn(Cc2ccccc2)n1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C34H33N5O3/c1-25(34(41)42-24-28-13-7-3-8-14-28)21-31(22-26-17-19-30(20-18-26)29-15-9-4-10-16-29)35-33(40)32-36-38-39(37-32)23-27-11-5-2-6-12-27/h2-20,25,31H,21-24H2,1H3,(H,35,40)/t25-,31+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description See A fluorescence lifetime-based assay for protease inhibitor profiling on human kallikrein 7 Doering K, Meder G, Hinnenberger M, Woelcke J, Mayr L ...				US Patent US9006249 (2015) BindingDB Entry DOI: 10.7270/Q2NV9H0R
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM153116 (US8993631, 19 | US9006249, Example 7-1 | US9603819...) Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)NCC(O)=O)C(O)=O Show InChI InChI=1S/C21H24N2O5/c1-14(20(26)27)11-18(23-21(28)22-13-19(24)25)12-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,14,18H,11-13H2,1H3,(H,24,25)(H,26,27)(H2,22,23,28)/t14-,18+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	93	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description See A fluorescence lifetime-based assay for protease inhibitor profiling on human kallikrein 7 Doering K, Meder G, Hinnenberger M, Woelcke J, Mayr L ...				US Patent US9006249 (2015) BindingDB Entry DOI: 10.7270/Q2NV9H0R
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM153117 (US8993631, 20 | US9006249, Example 9-1 | US9603819...) Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)n1ccc(n1)C(O)=O)C(O)=O Show InChI InChI=1S/C23H23N3O5/c1-15(21(27)28)13-19(24-23(31)26-12-11-20(25-26)22(29)30)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-12,15,19H,13-14H2,1H3,(H,24,31)(H,27,28)(H,29,30)/t15-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	142	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description See A fluorescence lifetime-based assay for protease inhibitor profiling on human kallikrein 7 Doering K, Meder G, Hinnenberger M, Woelcke J, Mayr L ...				US Patent US9006249 (2015) BindingDB Entry DOI: 10.7270/Q2NV9H0R
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM153107 (US8993631, 16-3 | US9006249, Example 3-6 | US96038...) Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCCc1ccc2nc(C)sc2c1)C(O)=O |r| Show InChI InChI=1S/C30H32N2O3S/c1-20(30(34)35)17-26(18-23-11-14-25(15-12-23)24-8-4-3-5-9-24)32-29(33)10-6-7-22-13-16-27-28(19-22)36-21(2)31-27/h3-5,8-9,11-16,19-20,26H,6-7,10,17-18H2,1-2H3,(H,32,33)(H,34,35)/t20-,26+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	250	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description See A fluorescence lifetime-based assay for protease inhibitor profiling on human kallikrein 7 Doering K, Meder G, Hinnenberger M, Woelcke J, Mayr L ...				US Patent US9006249 (2015) BindingDB Entry DOI: 10.7270/Q2NV9H0R
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM153113 (US8993631, 15-1 | US9006249, Example 2-1 | US96038...) Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CC(C)(C)C(O)=O)C(O)=O Show InChI InChI=1S/C24H29NO5/c1-16(22(27)28)13-20(25-21(26)15-24(2,3)23(29)30)14-17-9-11-19(12-10-17)18-7-5-4-6-8-18/h4-12,16,20H,13-15H2,1-3H3,(H,25,26)(H,27,28)(H,29,30)/t16-,20+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	267	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description See A fluorescence lifetime-based assay for protease inhibitor profiling on human kallikrein 7 Doering K, Meder G, Hinnenberger M, Woelcke J, Mayr L ...				US Patent US9006249 (2015) BindingDB Entry DOI: 10.7270/Q2NV9H0R
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM153112 (US8993631, 14-1 | US9006249, Example 1-1 | US96038...) Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)c1cccc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C26H25NO5/c1-17(25(29)30)14-23(27-24(28)21-8-5-9-22(16-21)26(31)32)15-18-10-12-20(13-11-18)19-6-3-2-4-7-19/h2-13,16-17,23H,14-15H2,1H3,(H,27,28)(H,29,30)(H,31,32)/t17-,23+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	283	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description See A fluorescence lifetime-based assay for protease inhibitor profiling on human kallikrein 7 Doering K, Meder G, Hinnenberger M, Woelcke J, Mayr L ...				US Patent US9006249 (2015) BindingDB Entry DOI: 10.7270/Q2NV9H0R
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM153114 (US8993631, 17 | US9006249, Example 5-1 | US9603819...) Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)c1cc(=O)cc(o1)C(O)=O)C(O)=O Show InChI InChI=1S/C25H23NO7/c1-15(24(29)30)11-19(26-23(28)21-13-20(27)14-22(33-21)25(31)32)12-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,13-15,19H,11-12H2,1H3,(H,26,28)(H,29,30)(H,31,32)/t15-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	350	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description See A fluorescence lifetime-based assay for protease inhibitor profiling on human kallikrein 7 Doering K, Meder G, Hinnenberger M, Woelcke J, Mayr L ...				US Patent US9006249 (2015) BindingDB Entry DOI: 10.7270/Q2NV9H0R
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM153115 (US8993631, 18-1 | US9006249, Example 6-1 | US96038...) Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)N1CCC[C@H]1C(O)=O)C(O)=O Show InChI InChI=1S/C24H28N2O5/c1-16(22(27)28)14-20(25-24(31)26-13-5-8-21(26)23(29)30)15-17-9-11-19(12-10-17)18-6-3-2-4-7-18/h2-4,6-7,9-12,16,20-21H,5,8,13-15H2,1H3,(H,25,31)(H,27,28)(H,29,30)/t16-,20+,21+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	450	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description See A fluorescence lifetime-based assay for protease inhibitor profiling on human kallikrein 7 Doering K, Meder G, Hinnenberger M, Woelcke J, Mayr L ...				US Patent US9006249 (2015) BindingDB Entry DOI: 10.7270/Q2NV9H0R
					More data for this Ligand-Target Pair