Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for entry = 6549   

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))	BDBM138390 (US8877786, Example 3-1) Show SMILES CCOC(=O)[C@H](C)N[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)C(=O)Nc1nnn[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description The in vitro inhibition of recombinant human neutral endopeptidase (NEP, EC 3.424.11) can be determined as follows:Recombinant human neutral endopept...				US Patent US8877786 (2014) BindingDB Entry DOI: 10.7270/Q28914KV
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM138395 (US8877786, Example 3-12) Show SMILES OC(=O)[C@H](CCc1ccccc1)N[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)C(=O)NC1=NNNN1 |r,t:34| Show InChI InChI=1S/C26H27ClN6O3/c27-21-8-4-7-20(16-21)19-12-9-18(10-13-19)15-23(24(34)29-26-30-32-33-31-26)28-22(25(35)36)14-11-17-5-2-1-3-6-17/h1-10,12-13,16,22-23,28,32-33H,11,14-15H2,(H,35,36)(H2,29,30,31,34)/t22-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description The in vitro inhibition of recombinant human neutral endopeptidase (NEP, EC 3.424.11) can be determined as follows:Recombinant human neutral endopept...				US Patent US8877786 (2014) BindingDB Entry DOI: 10.7270/Q28914KV
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM138396 (US8877786, Example 3-13) Show SMILES CC[C@H](N[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)C(=O)NC1=NNNN1)C(O)=O |r,t:24| Show InChI InChI=1S/C20H23ClN6O3/c1-2-16(19(29)30)22-17(18(28)23-20-24-26-27-25-20)10-12-6-8-13(9-7-12)14-4-3-5-15(21)11-14/h3-9,11,16-17,22,26-27H,2,10H2,1H3,(H,29,30)(H2,23,24,25,28)/t16-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description The in vitro inhibition of recombinant human neutral endopeptidase (NEP, EC 3.424.11) can be determined as follows:Recombinant human neutral endopept...				US Patent US8877786 (2014) BindingDB Entry DOI: 10.7270/Q28914KV
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM138391 (US8877786, Example 3-2) Show SMILES C[C@H](N[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1Cl)C(=O)Nc1nnn[nH]1)C(=O)OC(C)(C)C |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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 The in vitro inhibition of recombinant human neutral endopeptidase (NEP, EC 3.424.11) can be determined as follows:Recombinant human neutral endopept...				US Patent US8877786 (2014) BindingDB Entry DOI: 10.7270/Q28914KV
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM138393 (US8877786, Example 3-7 | US8993631, 32-4) Show SMILES C[C@H](N[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)C(=O)Nc1cc(O)no1)C(O)=O |r| Show InChI InChI=1S/C21H20ClN3O5/c1-12(21(28)29)23-17(20(27)24-19-11-18(26)25-30-19)9-13-5-7-14(8-6-13)15-3-2-4-16(22)10-15/h2-8,10-12,17,23H,9H2,1H3,(H,24,27)(H,25,26)(H,28,29)/t12-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description The in vitro inhibition of recombinant human neutral endopeptidase (NEP, EC 3.424.11) can be determined as follows:Recombinant human neutral endopept...				US Patent US8877786 (2014) BindingDB Entry DOI: 10.7270/Q28914KV
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM138392 (US8877786, Example 3-4) Show SMILES C[C@H](N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)NC1=NNNN1)C(O)=O |r,t:22| Show InChI InChI=1S/C19H22N6O3/c1-12(18(27)28)20-16(17(26)21-19-22-24-25-23-19)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,12,16,20,24-25H,11H2,1H3,(H,27,28)(H2,21,22,23,26)/t12-,16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description The in vitro inhibition of recombinant human neutral endopeptidase (NEP, EC 3.424.11) can be determined as follows:Recombinant human neutral endopept...				US Patent US8877786 (2014) BindingDB Entry DOI: 10.7270/Q28914KV
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM138394 (US8877786, Example 3-10) Show SMILES C[C@H](N[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)C(=O)NC1=NNNN1C)C(O)=O |r,t:23| Show InChI InChI=1S/C20H23ClN6O3/c1-12(19(29)30)22-17(18(28)23-20-24-25-26-27(20)2)10-13-6-8-14(9-7-13)15-4-3-5-16(21)11-15/h3-9,11-12,17,22,25-26H,10H2,1-2H3,(H,29,30)(H,23,24,28)/t12-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	91	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description The in vitro inhibition of recombinant human neutral endopeptidase (NEP, EC 3.424.11) can be determined as follows:Recombinant human neutral endopept...				US Patent US8877786 (2014) BindingDB Entry DOI: 10.7270/Q28914KV
					More data for this Ligand-Target Pair