Compile Data Set for Download or QSAR

Found 44 hits Enz. Inhib. hit(s) with all data for entry = 50022310   

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))	BDBM50411606 (CHEMBL254282) Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1ccc(Oc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C21H25NO4S/c1-3-14(2)19(27)20(23)22-18(21(24)25)13-15-9-11-17(12-10-15)26-16-7-5-4-6-8-16/h4-12,14,18-19,27H,3,13H2,1-2H3,(H,22,23)(H,24,25)/t14-,18+,19+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant NEP by fluorescence assay				Bioorg Med Chem Lett 18: 1681-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.046 BindingDB Entry DOI: 10.7270/Q29K49Z2
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50411608 (CHEMBL400527) Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1cccc2ccccc12)C(O)=O Show InChI InChI=1S/C19H23NO3S/c1-3-12(2)17(24)18(21)20-16(19(22)23)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10,12,16-17,24H,3,11H2,1-2H3,(H,20,21)(H,22,23)/t12-,16+,17+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant NEP by fluorescence assay				Bioorg Med Chem Lett 18: 1681-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.046 BindingDB Entry DOI: 10.7270/Q29K49Z2
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50411598 (CHEMBL401397) Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1cccc(c1)-c1ccccc1)C(O)=O Show InChI InChI=1S/C21H25NO3S/c1-3-14(2)19(26)20(23)22-18(21(24)25)13-15-8-7-11-17(12-15)16-9-5-4-6-10-16/h4-12,14,18-19,26H,3,13H2,1-2H3,(H,22,23)(H,24,25)/t14-,18+,19+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant NEP by fluorescence assay				Bioorg Med Chem Lett 18: 1681-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.046 BindingDB Entry DOI: 10.7270/Q29K49Z2
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50411605 (CHEMBL252391) Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O Show InChI InChI=1S/C21H25NO3S/c1-3-14(2)19(26)20(23)22-18(21(24)25)13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,14,18-19,26H,3,13H2,1-2H3,(H,22,23)(H,24,25)/t14-,18+,19+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant NEP by fluorescence assay				Bioorg Med Chem Lett 18: 1681-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.046 BindingDB Entry DOI: 10.7270/Q29K49Z2
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50411613 (CHEMBL400526) Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C15H21NO3S/c1-3-10(2)13(20)14(17)16-12(15(18)19)9-11-7-5-4-6-8-11/h4-8,10,12-13,20H,3,9H2,1-2H3,(H,16,17)(H,18,19)/t10-,12+,13+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant NEP by fluorescence assay				Bioorg Med Chem Lett 18: 1681-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.046 BindingDB Entry DOI: 10.7270/Q29K49Z2
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50411599 (CHEMBL254495) Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1cccc(OCc2ccccc2)c1)C(O)=O Show InChI InChI=1S/C22H27NO4S/c1-3-15(2)20(28)21(24)23-19(22(25)26)13-17-10-7-11-18(12-17)27-14-16-8-5-4-6-9-16/h4-12,15,19-20,28H,3,13-14H2,1-2H3,(H,23,24)(H,25,26)/t15-,19+,20+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant NEP by fluorescence assay				Bioorg Med Chem Lett 18: 1681-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.046 BindingDB Entry DOI: 10.7270/Q29K49Z2
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50411607 (CHEMBL253428) Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O Show InChI InChI=1S/C19H23NO3S/c1-3-12(2)17(24)18(21)20-16(19(22)23)11-13-8-9-14-6-4-5-7-15(14)10-13/h4-10,12,16-17,24H,3,11H2,1-2H3,(H,20,21)(H,22,23)/t12-,16+,17+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant NEP by fluorescence assay				Bioorg Med Chem Lett 18: 1681-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.046 BindingDB Entry DOI: 10.7270/Q29K49Z2
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50411603 (CHEMBL398771) Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1ccc(OCc2ccc(F)cc2F)cc1)C(O)=O Show InChI InChI=1S/C22H25F2NO4S/c1-3-13(2)20(30)21(26)25-19(22(27)28)10-14-4-8-17(9-5-14)29-12-15-6-7-16(23)11-18(15)24/h4-9,11,13,19-20,30H,3,10,12H2,1-2H3,(H,25,26)(H,27,28)/t13-,19+,20+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant NEP by fluorescence assay				Bioorg Med Chem Lett 18: 1681-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.046 BindingDB Entry DOI: 10.7270/Q29K49Z2
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50411617 (CHEMBL253224) Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C15H21NO4S/c1-3-9(2)13(21)14(18)16-12(15(19)20)8-10-4-6-11(17)7-5-10/h4-7,9,12-13,17,21H,3,8H2,1-2H3,(H,16,18)(H,19,20)/t9-,12+,13+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant NEP by fluorescence assay				Bioorg Med Chem Lett 18: 1681-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.046 BindingDB Entry DOI: 10.7270/Q29K49Z2
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50411616 (CHEMBL252003) Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1cccc(Oc2ccccc2)c1)C(O)=O Show InChI InChI=1S/C21H25NO4S/c1-3-14(2)19(27)20(23)22-18(21(24)25)13-15-8-7-11-17(12-15)26-16-9-5-4-6-10-16/h4-12,14,18-19,27H,3,13H2,1-2H3,(H,22,23)(H,24,25)/t14-,18+,19+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant NEP by fluorescence assay				Bioorg Med Chem Lett 18: 1681-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.046 BindingDB Entry DOI: 10.7270/Q29K49Z2
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50411610 (CHEMBL254493) Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1ccccc1OCc1ccccc1)C(O)=O Show InChI InChI=1S/C22H27NO4S/c1-3-15(2)20(28)21(24)23-18(22(25)26)13-17-11-7-8-12-19(17)27-14-16-9-5-4-6-10-16/h4-12,15,18,20,28H,3,13-14H2,1-2H3,(H,23,24)(H,25,26)/t15-,18+,20+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant NEP by fluorescence assay				Bioorg Med Chem Lett 18: 1681-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.046 BindingDB Entry DOI: 10.7270/Q29K49Z2
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50411611 (CHEMBL251804) Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1ccccc1Oc1ccccc1)C(O)=O Show InChI InChI=1S/C21H25NO4S/c1-3-14(2)19(27)20(23)22-17(21(24)25)13-15-9-7-8-12-18(15)26-16-10-5-4-6-11-16/h4-12,14,17,19,27H,3,13H2,1-2H3,(H,22,23)(H,24,25)/t14-,17+,19+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant NEP by fluorescence assay				Bioorg Med Chem Lett 18: 1681-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.046 BindingDB Entry DOI: 10.7270/Q29K49Z2
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50411601 (CHEMBL254911) Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1ccc(OCc2ccc(F)cc2)cc1)C(O)=O Show InChI InChI=1S/C22H26FNO4S/c1-3-14(2)20(29)21(25)24-19(22(26)27)12-15-6-10-18(11-7-15)28-13-16-4-8-17(23)9-5-16/h4-11,14,19-20,29H,3,12-13H2,1-2H3,(H,24,25)(H,26,27)/t14-,19+,20+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant NEP by fluorescence assay				Bioorg Med Chem Lett 18: 1681-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.046 BindingDB Entry DOI: 10.7270/Q29K49Z2
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50411614 (CHEMBL398545) Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1ccccc1-c1ccccc1)C(O)=O Show InChI InChI=1S/C21H25NO3S/c1-3-14(2)19(26)20(23)22-18(21(24)25)13-16-11-7-8-12-17(16)15-9-5-4-6-10-15/h4-12,14,18-19,26H,3,13H2,1-2H3,(H,22,23)(H,24,25)/t14-,18+,19+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant NEP by fluorescence assay				Bioorg Med Chem Lett 18: 1681-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.046 BindingDB Entry DOI: 10.7270/Q29K49Z2
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50411612 (CHEMBL254703) Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C22H27NO4S/c1-3-15(2)20(28)21(24)23-19(22(25)26)13-16-9-11-18(12-10-16)27-14-17-7-5-4-6-8-17/h4-12,15,19-20,28H,3,13-14H2,1-2H3,(H,23,24)(H,25,26)/t15-,19+,20+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant NEP by fluorescence assay				Bioorg Med Chem Lett 18: 1681-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.046 BindingDB Entry DOI: 10.7270/Q29K49Z2
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50411617 (CHEMBL253224) Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C15H21NO4S/c1-3-9(2)13(21)14(18)16-12(15(19)20)8-10-4-6-11(17)7-5-10/h4-7,9,12-13,17,21H,3,8H2,1-2H3,(H,16,18)(H,19,20)/t9-,12+,13+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CpA by fluorescence assay				Bioorg Med Chem Lett 18: 1681-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.046 BindingDB Entry DOI: 10.7270/Q29K49Z2
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50411613 (CHEMBL400526) Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C15H21NO3S/c1-3-10(2)13(20)14(17)16-12(15(18)19)9-11-7-5-4-6-8-11/h4-8,10,12-13,20H,3,9H2,1-2H3,(H,16,17)(H,18,19)/t10-,12+,13+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CpA by fluorescence assay				Bioorg Med Chem Lett 18: 1681-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.046 BindingDB Entry DOI: 10.7270/Q29K49Z2
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50411609 (CHEMBL251808) Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1ccc(OCc2ccc(F)c(F)c2)cc1)C(O)=O Show InChI InChI=1S/C22H25F2NO4S/c1-3-13(2)20(30)21(26)25-19(22(27)28)11-14-4-7-16(8-5-14)29-12-15-6-9-17(23)18(24)10-15/h4-10,13,19-20,30H,3,11-12H2,1-2H3,(H,25,26)(H,27,28)/t13-,19+,20+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant NEP by fluorescence assay				Bioorg Med Chem Lett 18: 1681-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.046 BindingDB Entry DOI: 10.7270/Q29K49Z2
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50411602 (CHEMBL254900) Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](C)C(O)=O Show InChI InChI=1S/C9H17NO3S/c1-4-5(2)7(14)8(11)10-6(3)9(12)13/h5-7,14H,4H2,1-3H3,(H,10,11)(H,12,13)/t5-,6+,7+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant NEP by fluorescence assay				Bioorg Med Chem Lett 18: 1681-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.046 BindingDB Entry DOI: 10.7270/Q29K49Z2
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50411600 (CHEMBL251809) Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1ccc(OCc2ccc(cc2)C(F)(F)F)cc1)C(O)=O Show InChI InChI=1S/C23H26F3NO4S/c1-3-14(2)20(32)21(28)27-19(22(29)30)12-15-6-10-18(11-7-15)31-13-16-4-8-17(9-5-16)23(24,25)26/h4-11,14,19-20,32H,3,12-13H2,1-2H3,(H,27,28)(H,29,30)/t14-,19+,20+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant NEP by fluorescence assay				Bioorg Med Chem Lett 18: 1681-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.046 BindingDB Entry DOI: 10.7270/Q29K49Z2
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50411610 (CHEMBL254493) Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1ccccc1OCc1ccccc1)C(O)=O Show InChI InChI=1S/C22H27NO4S/c1-3-15(2)20(28)21(24)23-18(22(25)26)13-17-11-7-8-12-19(17)27-14-16-9-5-4-6-10-16/h4-12,15,18,20,28H,3,13-14H2,1-2H3,(H,23,24)(H,25,26)/t15-,18+,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CpA by fluorescence assay				Bioorg Med Chem Lett 18: 1681-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.046 BindingDB Entry DOI: 10.7270/Q29K49Z2
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50411603 (CHEMBL398771) Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1ccc(OCc2ccc(F)cc2F)cc1)C(O)=O Show InChI InChI=1S/C22H25F2NO4S/c1-3-13(2)20(30)21(26)25-19(22(27)28)10-14-4-8-17(9-5-14)29-12-15-6-7-16(23)11-18(15)24/h4-9,11,13,19-20,30H,3,10,12H2,1-2H3,(H,25,26)(H,27,28)/t13-,19+,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CpA by fluorescence assay				Bioorg Med Chem Lett 18: 1681-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.046 BindingDB Entry DOI: 10.7270/Q29K49Z2
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50411611 (CHEMBL251804) Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1ccccc1Oc1ccccc1)C(O)=O Show InChI InChI=1S/C21H25NO4S/c1-3-14(2)19(27)20(23)22-17(21(24)25)13-15-9-7-8-12-18(15)26-16-10-5-4-6-11-16/h4-12,14,17,19,27H,3,13H2,1-2H3,(H,22,23)(H,24,25)/t14-,17+,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CpA by fluorescence assay				Bioorg Med Chem Lett 18: 1681-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.046 BindingDB Entry DOI: 10.7270/Q29K49Z2
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50411609 (CHEMBL251808) Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1ccc(OCc2ccc(F)c(F)c2)cc1)C(O)=O Show InChI InChI=1S/C22H25F2NO4S/c1-3-13(2)20(30)21(26)25-19(22(27)28)11-14-4-7-16(8-5-14)29-12-15-6-9-17(23)18(24)10-15/h4-10,13,19-20,30H,3,11-12H2,1-2H3,(H,25,26)(H,27,28)/t13-,19+,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CpA by fluorescence assay				Bioorg Med Chem Lett 18: 1681-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.046 BindingDB Entry DOI: 10.7270/Q29K49Z2
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50411608 (CHEMBL400527) Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1cccc2ccccc12)C(O)=O Show InChI InChI=1S/C19H23NO3S/c1-3-12(2)17(24)18(21)20-16(19(22)23)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10,12,16-17,24H,3,11H2,1-2H3,(H,20,21)(H,22,23)/t12-,16+,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CpA by fluorescence assay				Bioorg Med Chem Lett 18: 1681-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.046 BindingDB Entry DOI: 10.7270/Q29K49Z2
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50411612 (CHEMBL254703) Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C22H27NO4S/c1-3-15(2)20(28)21(24)23-19(22(25)26)13-16-9-11-18(12-10-16)27-14-17-7-5-4-6-8-17/h4-12,15,19-20,28H,3,13-14H2,1-2H3,(H,23,24)(H,25,26)/t15-,19+,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CpA by fluorescence assay				Bioorg Med Chem Lett 18: 1681-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.046 BindingDB Entry DOI: 10.7270/Q29K49Z2
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50411600 (CHEMBL251809) Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1ccc(OCc2ccc(cc2)C(F)(F)F)cc1)C(O)=O Show InChI InChI=1S/C23H26F3NO4S/c1-3-14(2)20(32)21(28)27-19(22(29)30)12-15-6-10-18(11-7-15)31-13-16-4-8-17(9-5-16)23(24,25)26/h4-11,14,19-20,32H,3,12-13H2,1-2H3,(H,27,28)(H,29,30)/t14-,19+,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CpA by fluorescence assay				Bioorg Med Chem Lett 18: 1681-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.046 BindingDB Entry DOI: 10.7270/Q29K49Z2
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50411598 (CHEMBL401397) Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1cccc(c1)-c1ccccc1)C(O)=O Show InChI InChI=1S/C21H25NO3S/c1-3-14(2)19(26)20(23)22-18(21(24)25)13-15-8-7-11-17(12-15)16-9-5-4-6-10-16/h4-12,14,18-19,26H,3,13H2,1-2H3,(H,22,23)(H,24,25)/t14-,18+,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CpA by fluorescence assay				Bioorg Med Chem Lett 18: 1681-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.046 BindingDB Entry DOI: 10.7270/Q29K49Z2
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50411599 (CHEMBL254495) Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1cccc(OCc2ccccc2)c1)C(O)=O Show InChI InChI=1S/C22H27NO4S/c1-3-15(2)20(28)21(24)23-19(22(25)26)13-17-10-7-11-18(12-17)27-14-16-8-5-4-6-9-16/h4-12,15,19-20,28H,3,13-14H2,1-2H3,(H,23,24)(H,25,26)/t15-,19+,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CpA by fluorescence assay				Bioorg Med Chem Lett 18: 1681-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.046 BindingDB Entry DOI: 10.7270/Q29K49Z2
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50411615 (CHEMBL401086) Show SMILES CC[C@@H](C)[C@H](S)C(=O)NCC(O)=O Show InChI InChI=1S/C8H15NO3S/c1-3-5(2)7(13)8(12)9-4-6(10)11/h5,7,13H,3-4H2,1-2H3,(H,9,12)(H,10,11)/t5-,7+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant NEP by fluorescence assay				Bioorg Med Chem Lett 18: 1681-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.046 BindingDB Entry DOI: 10.7270/Q29K49Z2
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50411607 (CHEMBL253428) Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O Show InChI InChI=1S/C19H23NO3S/c1-3-12(2)17(24)18(21)20-16(19(22)23)11-13-8-9-14-6-4-5-7-15(14)10-13/h4-10,12,16-17,24H,3,11H2,1-2H3,(H,20,21)(H,22,23)/t12-,16+,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CpA by fluorescence assay				Bioorg Med Chem Lett 18: 1681-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.046 BindingDB Entry DOI: 10.7270/Q29K49Z2
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50411606 (CHEMBL254282) Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1ccc(Oc2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C21H25NO4S/c1-3-14(2)19(27)20(23)22-18(21(24)25)13-15-9-11-17(12-10-15)26-16-7-5-4-6-8-16/h4-12,14,18-19,27H,3,13H2,1-2H3,(H,22,23)(H,24,25)/t14-,18+,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CpA by fluorescence assay				Bioorg Med Chem Lett 18: 1681-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.046 BindingDB Entry DOI: 10.7270/Q29K49Z2
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50411614 (CHEMBL398545) Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1ccccc1-c1ccccc1)C(O)=O Show InChI InChI=1S/C21H25NO3S/c1-3-14(2)19(26)20(23)22-18(21(24)25)13-16-11-7-8-12-17(16)15-9-5-4-6-10-15/h4-12,14,18-19,26H,3,13H2,1-2H3,(H,22,23)(H,24,25)/t14-,18+,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CpA by fluorescence assay				Bioorg Med Chem Lett 18: 1681-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.046 BindingDB Entry DOI: 10.7270/Q29K49Z2
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50411604 (CHEMBL252009) Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1ccc(OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1)C(O)=O Show InChI InChI=1S/C24H25F6NO4S/c1-3-13(2)20(36)21(32)31-19(22(33)34)10-14-4-6-18(7-5-14)35-12-15-8-16(23(25,26)27)11-17(9-15)24(28,29)30/h4-9,11,13,19-20,36H,3,10,12H2,1-2H3,(H,31,32)(H,33,34)/t13-,19+,20+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant NEP by fluorescence assay				Bioorg Med Chem Lett 18: 1681-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.046 BindingDB Entry DOI: 10.7270/Q29K49Z2
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50411602 (CHEMBL254900) Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](C)C(O)=O Show InChI InChI=1S/C9H17NO3S/c1-4-5(2)7(14)8(11)10-6(3)9(12)13/h5-7,14H,4H2,1-3H3,(H,10,11)(H,12,13)/t5-,6+,7+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CpA by fluorescence assay				Bioorg Med Chem Lett 18: 1681-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.046 BindingDB Entry DOI: 10.7270/Q29K49Z2
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50411605 (CHEMBL252391) Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O Show InChI InChI=1S/C21H25NO3S/c1-3-14(2)19(26)20(23)22-18(21(24)25)13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,14,18-19,26H,3,13H2,1-2H3,(H,22,23)(H,24,25)/t14-,18+,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CpA by fluorescence assay				Bioorg Med Chem Lett 18: 1681-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.046 BindingDB Entry DOI: 10.7270/Q29K49Z2
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50411604 (CHEMBL252009) Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1ccc(OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1)C(O)=O Show InChI InChI=1S/C24H25F6NO4S/c1-3-13(2)20(36)21(32)31-19(22(33)34)10-14-4-6-18(7-5-14)35-12-15-8-16(23(25,26)27)11-17(9-15)24(28,29)30/h4-9,11,13,19-20,36H,3,10,12H2,1-2H3,(H,31,32)(H,33,34)/t13-,19+,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CpA by fluorescence assay				Bioorg Med Chem Lett 18: 1681-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.046 BindingDB Entry DOI: 10.7270/Q29K49Z2
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50411616 (CHEMBL252003) Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1cccc(Oc2ccccc2)c1)C(O)=O Show InChI InChI=1S/C21H25NO4S/c1-3-14(2)19(27)20(23)22-18(21(24)25)13-15-8-7-11-17(12-15)26-16-9-5-4-6-10-16/h4-12,14,18-19,27H,3,13H2,1-2H3,(H,22,23)(H,24,25)/t14-,18+,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CpA by fluorescence assay				Bioorg Med Chem Lett 18: 1681-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.046 BindingDB Entry DOI: 10.7270/Q29K49Z2
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50411601 (CHEMBL254911) Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1ccc(OCc2ccc(F)cc2)cc1)C(O)=O Show InChI InChI=1S/C22H26FNO4S/c1-3-14(2)20(29)21(25)24-19(22(26)27)12-15-6-10-18(11-7-15)28-13-16-4-8-17(23)9-5-16/h4-11,14,19-20,29H,3,12-13H2,1-2H3,(H,24,25)(H,26,27)/t14-,19+,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CpA by fluorescence assay				Bioorg Med Chem Lett 18: 1681-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.046 BindingDB Entry DOI: 10.7270/Q29K49Z2
					More data for this Ligand-Target Pair
Carboxypeptidase A1 (Homo sapiens (Human))	BDBM50411615 (CHEMBL401086) Show SMILES CC[C@@H](C)[C@H](S)C(=O)NCC(O)=O Show InChI InChI=1S/C8H15NO3S/c1-3-5(2)7(13)8(12)9-4-6(10)11/h5,7,13H,3-4H2,1-2H3,(H,9,12)(H,10,11)/t5-,7+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant CpA by fluorescence assay				Bioorg Med Chem Lett 18: 1681-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.046 BindingDB Entry DOI: 10.7270/Q29K49Z2
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme 2 (Homo sapiens (Human))	BDBM21489 ((2S)-2-{[(1S)-1-carboxy-2-{1-[(3,5-dichlorophenyl)...) Show SMILES CC(C)C[C@H](N[C@@H](Cc1cncn1Cc1cc(Cl)cc(Cl)c1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C19H23Cl2N3O4/c1-11(2)3-16(18(25)26)23-17(19(27)28)7-15-8-22-10-24(15)9-12-4-13(20)6-14(21)5-12/h4-6,8,10-11,16-17,23H,3,7,9H2,1-2H3,(H,25,26)(H,27,28)/t16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of ACE2				Bioorg Med Chem Lett 18: 1681-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.046 BindingDB Entry DOI: 10.7270/Q29K49Z2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme 2 (Homo sapiens (Human))	BDBM50233797 (CHEMBL436639 | DX-600) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(C)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)CNC(=O)CN)[C@@H](C)O |wU:31.32,8.8,96.103,112.120,128.137,43.49,50.53,64.69,155.166,159.179,193.212,102.113,178.195,wD:19.19,4.3,92.117,140.150,78.85,87.162,212.227,171.182,186.198,122.131,(10.75,-14.8,;10.83,-13.27,;12.19,-12.55,;9.53,-12.43,;9.6,-10.9,;8.3,-10.06,;6.93,-10.77,;6.86,-12.31,;5.63,-9.94,;5.7,-8.4,;7.07,-7.7,;7.14,-6.16,;8.51,-5.44,;8.58,-3.91,;7.28,-3.09,;9.95,-3.2,;4.27,-10.65,;2.97,-9.82,;3.05,-8.28,;1.59,-10.53,;1.54,-12.07,;2.83,-12.9,;4.19,-12.18,;5.47,-13,;5.42,-14.56,;6.72,-15.38,;3.9,-15.18,;2.76,-14.44,;.3,-9.7,;-1.06,-10.41,;-1.14,-11.95,;-2.36,-9.57,;-2.29,-8.04,;-.92,-7.33,;.38,-8.17,;1.75,-7.45,;1.81,-5.91,;3.17,-5.21,;.51,-5.09,;-.86,-5.81,;-3.72,-10.29,;-3.8,-11.83,;-2.5,-12.66,;-5.16,-12.54,;-6.55,-11.85,;-7.62,-12.95,;-6.92,-14.3,;-5.4,-14.05,;-4.1,-14.87,;-2.74,-14.15,;-4.16,-16.41,;-5.53,-17.13,;-5.57,-18.67,;-4.27,-19.49,;-4.9,-21.07,;-6.44,-21.01,;-7.49,-22.11,;-8.97,-21.75,;-9.42,-20.27,;-8.34,-19.16,;-6.88,-19.54,;-2.86,-17.23,;-2.92,-18.77,;-3.7,-20.09,;-1.61,-19.6,;-1.66,-21.14,;-2.45,-22.46,;-3.98,-22.61,;-4.33,-24.1,;-3,-24.88,;-2.71,-26.39,;-1.24,-26.88,;-.09,-25.85,;-.4,-24.36,;-1.85,-23.88,;-.25,-18.88,;1.06,-19.7,;.99,-21.23,;2.42,-18.97,;2.48,-17.44,;3.84,-16.72,;5.14,-17.54,;6.5,-16.82,;7.81,-17.63,;3.72,-19.8,;3.66,-21.33,;2.3,-22.06,;4.97,-22.15,;6.34,-21.44,;7.63,-22.26,;21.81,-15.99,;20.43,-15.3,;20.34,-13.77,;18.96,-13.08,;17.68,-13.92,;17.77,-15.46,;16.31,-13.23,;16.21,-11.69,;17.51,-10.85,;15.02,-14.07,;13.65,-13.38,;12.35,-14.22,;13.55,-11.84,;14.74,-10.87,;14.18,-9.43,;12.66,-9.54,;12.27,-11,;10.97,-10.19,;11.04,-8.66,;21.63,-12.92,;21.54,-11.39,;23.01,-13.62,;24.29,-12.77,;24.2,-11.24,;25.5,-10.39,;25.56,-8.85,;27.07,-8.44,;27.9,-9.73,;26.94,-10.94,;25.67,-13.46,;25.76,-15,;26.96,-12.63,;28.34,-13.3,;28.42,-14.84,;27.15,-15.69,;29.64,-12.47,;29.54,-10.92,;31.01,-13.16,;32.29,-12.31,;32.2,-10.77,;33.49,-9.93,;34.86,-10.63,;36.15,-9.78,;36.06,-8.25,;37.35,-7.4,;34.68,-7.55,;33.4,-8.4,;33.67,-13,;33.76,-14.55,;34.94,-12.16,;36.33,-12.85,;36.41,-14.38,;37.79,-15.08,;39.08,-14.24,;37.88,-16.62,;37.61,-12.01,;37.53,-10.46,;39,-12.7,;40.28,-11.85,;41.65,-12.54,;41.75,-14.09,;42.94,-11.71,;4.91,-23.7,;3.55,-24.42,;2.25,-23.59,;3.49,-25.96,;4.78,-26.77,;6.15,-26.05,;6.21,-24.51,;7.45,-26.87,;7.39,-28.41,;6.03,-29.13,;4.74,-28.31,;3.38,-29.03,;3.31,-30.57,;1.96,-31.29,;4.63,-31.39,;5.98,-30.66,;8.82,-26.16,;10.12,-26.97,;10.07,-28.51,;11.48,-26.26,;11.7,-24.73,;13.21,-24.46,;13.93,-25.82,;12.86,-26.93,;13.13,-28.44,;11.94,-29.44,;14.57,-28.99,;14.84,-30.5,;13.66,-31.49,;12.21,-30.95,;13.91,-33,;15.75,-27.99,;17.2,-28.52,;17.46,-30.03,;18.38,-27.53,;18.26,-25.99,;19.7,-25.4,;20.69,-26.59,;19.86,-27.9,;20.44,-29.32,;19.49,-30.55,;21.96,-29.54,;22.54,-30.97,;21.59,-32.19,;22.16,-33.61,;23.7,-33.83,;21.21,-34.82,;22.92,-28.32,;24.43,-28.55,;25.01,-29.97,;25.38,-27.33,;26.91,-27.55,;27.85,-26.33,;27.28,-24.9,;29.38,-26.55,;30.33,-25.34,;31.86,-25.56,;32.43,-26.98,;32.81,-24.34,;34.33,-24.56,;2.13,-26.67,;.81,-25.85,;2.07,-28.21,)| Show InChI InChI=1S/C140H184N34O39S2/c1-72(2)50-100-137(211)172-47-15-25-110(172)134(208)167-104(68-176)128(202)168-105(130(204)159-98(57-81-64-145-71-152-81)125(199)166-103(67-175)127(201)157-94(52-76-28-36-83(180)37-29-76)122(196)160-99(58-115(188)189)118(192)151-61-73(3)177)69-214-215-70-106(169-135(209)117(74(4)178)170-126(200)96(54-78-32-40-85(182)41-33-78)162-132(206)108-23-14-49-174(108)139(213)102(59-116(190)191)165-133(207)109-24-12-46-171(109)136(210)92(42-43-114(186)187)153-113(185)66-150-112(184)65-149-111(183)60-142)129(203)155-90(20-9-10-44-141)119(193)158-97(55-79-62-147-88-18-7-5-16-86(79)88)124(198)164-101(56-80-63-148-89-19-8-6-17-87(80)89)138(212)173-48-13-22-107(173)131(205)161-95(53-77-30-38-84(181)39-31-77)123(197)156-93(51-75-26-34-82(179)35-27-75)121(195)154-91(120(194)163-100)21-11-45-146-140(143)144/h5-8,16-19,26-41,62-64,71-72,74,90-110,117,147-148,175-176,178-182H,9-15,20-25,42-61,65-70,141-142H2,1-4H3,(H,145,152)(H,149,183)(H,150,184)(H,151,192)(H,153,185)(H,154,195)(H,155,203)(H,156,197)(H,157,201)(H,158,193)(H,159,204)(H,160,196)(H,161,205)(H,162,206)(H,163,194)(H,164,198)(H,165,207)(H,166,199)(H,167,208)(H,168,202)(H,169,209)(H,170,200)(H,186,187)(H,188,189)(H,190,191)(H4,143,144,146)/t74-,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,117+/m1/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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of ACE2				Bioorg Med Chem Lett 18: 1681-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.046 BindingDB Entry DOI: 10.7270/Q29K49Z2
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme 2 (Homo sapiens (Human))	BDBM50233798 (CHEMBL398940 | N-(2-aminoethyl)-1-aziridine-ethana...) Show SMILES NCCNCCN1CC1 Show InChI InChI=1S/C6H15N3/c7-1-2-8-3-4-9-5-6-9/h8H,1-7H2	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	5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of ACE2				Bioorg Med Chem Lett 18: 1681-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.046 BindingDB Entry DOI: 10.7270/Q29K49Z2
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme 2 (Homo sapiens (Human))	BDBM52871 ((E)-3-[5-(5-Chloro-2-methyl-phenyl)-furan-2-yl]-2-...) Show SMILES Cc1nnc(SC(=Cc2ccc(o2)-c2cc(Cl)ccc2C)C(O)=O)[nH]1 |w:7.7| Show InChI InChI=1S/C17H14ClN3O3S/c1-9-3-4-11(18)7-13(9)14-6-5-12(24-14)8-15(16(22)23)25-17-19-10(2)20-21-17/h3-8H,1-2H3,(H,22,23)(H,19,20,21)	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	6.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of ACE2				Bioorg Med Chem Lett 18: 1681-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.046 BindingDB Entry DOI: 10.7270/Q29K49Z2
					More data for this Ligand-Target Pair