Compile Data Set for Download or QSAR

Found 242 hits with Last Name = 'coppola' and Initial = 'g'   

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	n/a	n/a
NOVARTIS AG US Patent					Assay Description The activity of a compound according to the present invention can be assessed by the following in vitro & in vivo methods and/or by the following in ...				US Patent US9603819 (2017) BindingDB Entry DOI: 10.7270/Q20V8FVV
					More data for this Ligand-Target Pair
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))	BDBM309469 ((2R,4S)-5-(3′-Chloro-biphenyl-4-yl)-4-[(3-hy...) Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)C(\O)=C\C(O)=N)C(O)=O |r| Show InChI InChI=1S/C22H23ClN2O5/c1-13(22(29)30)9-18(25-21(28)19(26)12-20(24)27)10-14-5-7-15(8-6-14)16-3-2-4-17(23)11-16/h2-8,11-13,18,26H,9-10H2,1H3,(H2,24,27)(H,25,28)(H,29,30)/b19-12-/t13-,18+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The activity of a compound according to the present invention can be assessed by the following in vitro & in vivo methods and/or by the following in ...				US Patent US9603819 (2017) BindingDB Entry DOI: 10.7270/Q20V8FVV
					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))	BDBM153128 (US8993631, 36) Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)CCC(O)=O)C(O)=O Show InChI InChI=1S/C22H24ClNO5/c1-14(22(28)29)11-19(24-20(25)9-10-21(26)27)12-15-5-7-16(8-6-15)17-3-2-4-18(23)13-17/h2-8,13-14,19H,9-12H2,1H3,(H,24,25)(H,26,27)(H,28,29)/t14-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant human NEP expressed in insect cells preincubated for 1 hr using Cys(PT14)-Arg-Arg-Leu-Trp-OH as substrate and measured afte...				ACS Med Chem Lett 11: 188-194 (2020) Article DOI: 10.1021/acsmedchemlett.9b00578 BindingDB Entry DOI: 10.7270/Q2C82DK4
					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	n/a	n/a
NOVARTIS AG US Patent					Assay Description The activity of a compound according to the present invention can be assessed by the following in vitro & in vivo methods and/or by the following in ...				US Patent US9603819 (2017) BindingDB Entry DOI: 10.7270/Q20V8FVV
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM130359 (US8822534, Example 5-39 | US8993631, 5-8) Show SMILES COc1ccc(Cl)cc1-c1ccc(C[C@H](CC(O)=O)NC(=O)CCC(O)=O)cc1 Show InChI InChI=1S/C21H22ClNO6/c1-29-18-7-6-15(22)11-17(18)14-4-2-13(3-5-14)10-16(12-21(27)28)23-19(24)8-9-20(25)26/h2-7,11,16H,8-10,12H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant human NEP expressed in insect cells preincubated for 1 hr using Cys(PT14)-Arg-Arg-Leu-Trp-OH as substrate and measured afte...				ACS Med Chem Lett 11: 188-194 (2020) Article DOI: 10.1021/acsmedchemlett.9b00578 BindingDB Entry DOI: 10.7270/Q2C82DK4
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50509659 (CHEMBL4443138) Show SMILES CC(C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C22H24ClNO5/c1-14(22(28)29)11-19(24-20(25)9-10-21(26)27)12-15-5-7-16(8-6-15)17-3-2-4-18(23)13-17/h2-8,13-14,19H,9-12H2,1H3,(H,24,25)(H,26,27)(H,28,29)/t14?,19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant human NEP expressed in insect cells preincubated for 1 hr using Cys(PT14)-Arg-Arg-Leu-Trp-OH as substrate and measured afte...				ACS Med Chem Lett 11: 188-194 (2020) Article DOI: 10.1021/acsmedchemlett.9b00578 BindingDB Entry DOI: 10.7270/Q2C82DK4
					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))	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	n/a	n/a
NOVARTIS AG US Patent					Assay Description The activity of a compound according to the present invention can be assessed by the following in vitro & in vivo methods and/or by the following in ...				US Patent US9603819 (2017) BindingDB Entry DOI: 10.7270/Q20V8FVV
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM130365 (US8822534, Example 11-1 | US8822534, Example 12-1 ...) Show SMILES OC(=O)CCC(=O)N[C@@H](CC(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1 Show InChI InChI=1S/C20H20ClNO5/c21-16-3-1-2-15(11-16)14-6-4-13(5-7-14)10-17(12-20(26)27)22-18(23)8-9-19(24)25/h1-7,11,17H,8-10,12H2,(H,22,23)(H,24,25)(H,26,27)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant human NEP expressed in insect cells preincubated for 1 hr using Cys(PT14)-Arg-Arg-Leu-Trp-OH as substrate and measured afte...				ACS Med Chem Lett 11: 188-194 (2020) Article DOI: 10.1021/acsmedchemlett.9b00578 BindingDB Entry DOI: 10.7270/Q2C82DK4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neprilysin (Homo sapiens (Human))	BDBM50509652 (CHEMBL4557208) Show SMILES Cc1cccc(c1)-c1ccc(C[C@H](CC(O)=O)NC(=O)CCC(O)=O)cc1 |r| Show InChI InChI=1S/C21H23NO5/c1-14-3-2-4-17(11-14)16-7-5-15(6-8-16)12-18(13-21(26)27)22-19(23)9-10-20(24)25/h2-8,11,18H,9-10,12-13H2,1H3,(H,22,23)(H,24,25)(H,26,27)/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant human NEP expressed in insect cells preincubated for 1 hr using Cys(PT14)-Arg-Arg-Leu-Trp-OH as substrate and measured afte...				ACS Med Chem Lett 11: 188-194 (2020) Article DOI: 10.1021/acsmedchemlett.9b00578 BindingDB Entry DOI: 10.7270/Q2C82DK4
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50509666 (CHEMBL4442804) Show SMILES C[C@@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C22H24ClNO5/c1-14(22(28)29)11-19(24-20(25)9-10-21(26)27)12-15-5-7-16(8-6-15)17-3-2-4-18(23)13-17/h2-8,13-14,19H,9-12H2,1H3,(H,24,25)(H,26,27)(H,28,29)/t14-,19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant human NEP expressed in insect cells preincubated for 1 hr using Cys(PT14)-Arg-Arg-Leu-Trp-OH as substrate and measured afte...				ACS Med Chem Lett 11: 188-194 (2020) Article DOI: 10.1021/acsmedchemlett.9b00578 BindingDB Entry DOI: 10.7270/Q2C82DK4
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial (Rattus norvegicus)	BDBM50472804 (CHEMBL83273) Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)c1cc(Cl)cc(Cl)c1)C(=O)[C@@](C)(O)C(F)(F)F Show InChI InChI=1S/C17H19Cl2F3N2O3/c1-9-8-24(15(26)16(3,27)17(20,21)22)10(2)7-23(9)14(25)11-4-12(18)6-13(19)5-11/h4-6,9-10,27H,7-8H2,1-3H3/t9-,10+,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats.				J Med Chem 43: 236-49 (2000) Article DOI: 10.1021/jm990358+ BindingDB Entry DOI: 10.7270/Q2B85BVQ
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50291237 (CHEMBL153492 | Sodium; (E)-(3R,5S)-7-[4-(4-fluoro-...) Show SMILES CC(C)c1sc(c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1)-c1ccccc1 Show InChI InChI=1S/C26H27FO4S/c1-16(2)25-22(13-12-20(28)14-21(29)15-23(30)31)24(17-8-10-19(27)11-9-17)26(32-25)18-6-4-3-5-7-18/h3-13,16,20-21,28-29H,14-15H2,1-2H3,(H,30,31)/p-1/b13-12+/t20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested in vitro for the HMG-CoA reductase inhibitory activity in a microsomal preparation				Bioorg Med Chem Lett 7: 549-554 (1997) Article DOI: 10.1016/S0960-894X(97)00065-6 BindingDB Entry DOI: 10.7270/Q2RB74NQ
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial (Rattus norvegicus)	BDBM50472836 (CHEMBL311125) Show SMILES C[C@H]1CN([C@H](C)CN1C(=O)[C@@](C)(O)C(F)(F)F)S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C20H23F3N2O4S/c1-13-12-25(14(2)11-24(13)18(26)19(3,27)20(21,22)23)30(28,29)17-10-6-8-15-7-4-5-9-16(15)17/h4-10,13-14,27H,11-12H2,1-3H3/t13-,14+,19+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats.				J Med Chem 43: 236-49 (2000) Article DOI: 10.1021/jm990358+ BindingDB Entry DOI: 10.7270/Q2B85BVQ
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM130355 (US8822534, Example 5-7 | US8993631, 5-3) Show SMILES COc1ccccc1-c1ccc(C[C@H](CC(O)=O)NC(=O)CCC(O)=O)cc1 Show InChI InChI=1S/C21H23NO6/c1-28-18-5-3-2-4-17(18)15-8-6-14(7-9-15)12-16(13-21(26)27)22-19(23)10-11-20(24)25/h2-9,16H,10-13H2,1H3,(H,22,23)(H,24,25)(H,26,27)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant human NEP expressed in insect cells preincubated for 1 hr using Cys(PT14)-Arg-Arg-Leu-Trp-OH as substrate and measured afte...				ACS Med Chem Lett 11: 188-194 (2020) Article DOI: 10.1021/acsmedchemlett.9b00578 BindingDB Entry DOI: 10.7270/Q2C82DK4
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50509647 (CHEMBL4518426) Show SMILES CCc1cccc(c1)-c1ccc(C[C@H](CC(O)=O)NC(=O)CCC(O)=O)cc1 |r| Show InChI InChI=1S/C22H25NO5/c1-2-15-4-3-5-18(12-15)17-8-6-16(7-9-17)13-19(14-22(27)28)23-20(24)10-11-21(25)26/h3-9,12,19H,2,10-11,13-14H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant human NEP expressed in insect cells preincubated for 1 hr using Cys(PT14)-Arg-Arg-Leu-Trp-OH as substrate and measured afte...				ACS Med Chem Lett 11: 188-194 (2020) Article DOI: 10.1021/acsmedchemlett.9b00578 BindingDB Entry DOI: 10.7270/Q2C82DK4
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50034842 ((2R,4S)-5-Biphenyl-4-yl-4-(3-carboxy-propionylamin...) Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCC(O)=O)C(O)=O Show InChI InChI=1S/C22H25NO5/c1-15(22(27)28)13-19(23-20(24)11-12-21(25)26)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,15,19H,11-14H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t15-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant human NEP expressed in insect cells preincubated for 1 hr using Cys(PT14)-Arg-Arg-Leu-Trp-OH as substrate and measured afte...				ACS Med Chem Lett 11: 188-194 (2020) Article DOI: 10.1021/acsmedchemlett.9b00578 BindingDB Entry DOI: 10.7270/Q2C82DK4
					More data for this Ligand-Target Pair				3D Structure (crystal)
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50291241 (CHEMBL153021 | Sodium; (E)-(3R,5S)-7-[4-(4-fluoro-...) Show SMILES COc1ccc(cc1)-c1sc(C(C)C)c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c1-c1ccc(F)cc1 Show InChI InChI=1S/C27H29FO5S/c1-16(2)26-23(13-10-20(29)14-21(30)15-24(31)32)25(17-4-8-19(28)9-5-17)27(34-26)18-6-11-22(33-3)12-7-18/h4-13,16,20-21,29-30H,14-15H2,1-3H3,(H,31,32)/p-1/b13-10+/t20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested in vitro for the HMG-CoA reductase inhibitory activity in a microsomal preparation				Bioorg Med Chem Lett 7: 549-554 (1997) Article DOI: 10.1016/S0960-894X(97)00065-6 BindingDB Entry DOI: 10.7270/Q2RB74NQ
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM130354 (US8822534, Example 5-4 | US8993631, 5-2) Show SMILES OC(=O)CCC(=O)N[C@@H](CC(O)=O)Cc1ccc(cc1)-c1cccc(F)c1 Show InChI InChI=1S/C20H20FNO5/c21-16-3-1-2-15(11-16)14-6-4-13(5-7-14)10-17(12-20(26)27)22-18(23)8-9-19(24)25/h1-7,11,17H,8-10,12H2,(H,22,23)(H,24,25)(H,26,27)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant human NEP expressed in insect cells preincubated for 1 hr using Cys(PT14)-Arg-Arg-Leu-Trp-OH as substrate and measured afte...				ACS Med Chem Lett 11: 188-194 (2020) Article DOI: 10.1021/acsmedchemlett.9b00578 BindingDB Entry DOI: 10.7270/Q2C82DK4
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50509655 (CHEMBL4466321) Show SMILES OC(=O)CCC(=O)N[C@@H](CC(O)=O)Cc1ccc(cc1)-c1cccc(c1)C#N |r| Show InChI InChI=1S/C21H20N2O5/c22-13-15-2-1-3-17(10-15)16-6-4-14(5-7-16)11-18(12-21(27)28)23-19(24)8-9-20(25)26/h1-7,10,18H,8-9,11-12H2,(H,23,24)(H,25,26)(H,27,28)/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant human NEP expressed in insect cells preincubated for 1 hr using Cys(PT14)-Arg-Arg-Leu-Trp-OH as substrate and measured afte...				ACS Med Chem Lett 11: 188-194 (2020) Article DOI: 10.1021/acsmedchemlett.9b00578 BindingDB Entry DOI: 10.7270/Q2C82DK4
					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))	BDBM309463 (US9603819, Example 3-60) Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)C1CNC(=N1)C(O)=O)C(O)=O |r,c:25| Show InChI InChI=1S/C23H25N3O5/c1-14(22(28)29)11-18(25-21(27)19-13-24-20(26-19)23(30)31)12-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,14,18-19H,11-13H2,1H3,(H,24,26)(H,25,27)(H,28,29)(H,30,31)/t14-,18+,19?/m1/s1	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	n/a	n/a
NOVARTIS AG US Patent					Assay Description The activity of a compound according to the present invention can be assessed by the following in vitro & in vivo methods and/or by the following in ...				US Patent US9603819 (2017) BindingDB Entry DOI: 10.7270/Q20V8FVV
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50509649 (CHEMBL4474653) Show SMILES OC(=O)CCC(=O)N[C@@H](CC(O)=O)Cc1ccc(cc1)-c1ccccc1Cl |r| Show InChI InChI=1S/C20H20ClNO5/c21-17-4-2-1-3-16(17)14-7-5-13(6-8-14)11-15(12-20(26)27)22-18(23)9-10-19(24)25/h1-8,15H,9-12H2,(H,22,23)(H,24,25)(H,26,27)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant human NEP expressed in insect cells preincubated for 1 hr using Cys(PT14)-Arg-Arg-Leu-Trp-OH as substrate and measured afte...				ACS Med Chem Lett 11: 188-194 (2020) Article DOI: 10.1021/acsmedchemlett.9b00578 BindingDB Entry DOI: 10.7270/Q2C82DK4
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial (Rattus norvegicus)	BDBM50472839 (CHEMBL3349325) Show SMILES C[C@@H]1CN([C@@H](C)CN1\C(Oc1ccccc1)=N\C#N)C(=O)[C@@](C)(O)C(F)(F)F Show InChI InChI=1S/C18H21F3N4O3/c1-12-10-25(16(23-11-22)28-14-7-5-4-6-8-14)13(2)9-24(12)15(26)17(3,27)18(19,20)21/h4-8,12-13,27H,9-10H2,1-3H3/b23-16-/t12-,13+,17+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats.				J Med Chem 43: 236-49 (2000) Article DOI: 10.1021/jm990358+ BindingDB Entry DOI: 10.7270/Q2B85BVQ
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50291258 (CHEMBL152366 | Sodium; (E)-(3R,5S)-7-[4-(4-fluoro-...) Show SMILES CC(C)c1sc(c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1)-c1ccc(C)cc1 Show InChI InChI=1S/C27H29FO4S/c1-16(2)26-23(13-12-21(29)14-22(30)15-24(31)32)25(18-8-10-20(28)11-9-18)27(33-26)19-6-4-17(3)5-7-19/h4-13,16,21-22,29-30H,14-15H2,1-3H3,(H,31,32)/p-1/b13-12+/t21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested in vitro for the HMG-CoA reductase inhibitory activity in a microsomal preparation				Bioorg Med Chem Lett 7: 549-554 (1997) Article DOI: 10.1016/S0960-894X(97)00065-6 BindingDB Entry DOI: 10.7270/Q2RB74NQ
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50239481 (CHEMBL4061308) Show SMILES COc1ccc(cc1)-c1nnc(o1)-c1ccc2nc([nH]c2c1)-c1c(C)cc(CCC(O)=O)cc1C Show InChI InChI=1S/C27H24N4O4/c1-15-12-17(4-11-23(32)33)13-16(2)24(15)25-28-21-10-7-19(14-22(21)29-25)27-31-30-26(35-27)18-5-8-20(34-3)9-6-18/h5-10,12-14H,4,11H2,1-3H3,(H,28,29)(H,32,33)	PDB UniProtKB/SwissProt 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
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged DGAT1 expressed in Sf9 insect cell membranes assessed as inhibition of triglyceride formation using diole...				J Med Chem 60: 4657-4664 (2017) Article DOI: 10.1021/acs.jmedchem.7b00173 BindingDB Entry DOI: 10.7270/Q2B27XF2
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial (Rattus norvegicus)	BDBM50472841 (CHEMBL443012) Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)C1CCCCC1)C(=O)[C@@](C)(O)C(F)(F)F Show InChI InChI=1S/C17H27F3N2O3/c1-11-10-22(15(24)16(3,25)17(18,19)20)12(2)9-21(11)14(23)13-7-5-4-6-8-13/h11-13,25H,4-10H2,1-3H3/t11-,12+,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats.				J Med Chem 43: 236-49 (2000) Article DOI: 10.1021/jm990358+ BindingDB Entry DOI: 10.7270/Q2B85BVQ
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50239482 (CHEMBL1683001) Show SMILES Cc1cc(CCC(O)=O)cc(C)c1-c1nc2ccc(cc2[nH]1)C(=O)Nc1ccc2ccccc2n1 Show InChI InChI=1S/C28H24N4O3/c1-16-13-18(7-12-25(33)34)14-17(2)26(16)27-30-22-10-8-20(15-23(22)31-27)28(35)32-24-11-9-19-5-3-4-6-21(19)29-24/h3-6,8-11,13-15H,7,12H2,1-2H3,(H,30,31)(H,33,34)(H,29,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged DGAT1 expressed in Sf9 insect cell membranes assessed as inhibition of triglyceride formation using diole...				J Med Chem 60: 4657-4664 (2017) Article DOI: 10.1021/acs.jmedchem.7b00173 BindingDB Entry DOI: 10.7270/Q2B27XF2
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial (Rattus norvegicus)	BDBM50472793 (CHEMBL313878) Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)OCc1ccccc1)C(=O)[C@@](C)(O)C(F)(F)F Show InChI InChI=1S/C18H23F3N2O4/c1-12-10-23(16(25)27-11-14-7-5-4-6-8-14)13(2)9-22(12)15(24)17(3,26)18(19,20)21/h4-8,12-13,26H,9-11H2,1-3H3/t12-,13+,17+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats.				J Med Chem 43: 236-49 (2000) Article DOI: 10.1021/jm990358+ BindingDB Entry DOI: 10.7270/Q2B85BVQ
					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))	BDBM309468 ((2R,4S)-5-biphenyl-4-yl-2-methyl-4-[(1H-tetrazole-...) Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)c1nnnn1Cc1ccccc1)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)32-36-37-38-39(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	n/a	n/a
NOVARTIS AG US Patent					Assay Description The activity of a compound according to the present invention can be assessed by the following in vitro & in vivo methods and/or by the following in ...				US Patent US9603819 (2017) BindingDB Entry DOI: 10.7270/Q20V8FVV
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50291255 (CHEMBL358623 | Sodium; (E)-(3R,5S)-7-[4-(4-fluoro-...) Show SMILES [#6]-[#6](-[#6])-c1sc(\[#6]=[#6](/[#6])-[#6])c(c1\[#6]=[#6]\[#6@@H](-[#8])-[#6]-[#6@@H](-[#8])-[#6]-[#6](-[#8-])=O)-c1ccc(F)cc1 Show InChI InChI=1S/C24H29FO4S/c1-14(2)11-21-23(16-5-7-17(25)8-6-16)20(24(30-21)15(3)4)10-9-18(26)12-19(27)13-22(28)29/h5-11,15,18-19,26-27H,12-13H2,1-4H3,(H,28,29)/p-1/b10-9+/t18-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested in vitro for the HMG-CoA reductase inhibitory activity in a microsomal preparation				Bioorg Med Chem Lett 7: 549-554 (1997) Article DOI: 10.1016/S0960-894X(97)00065-6 BindingDB Entry DOI: 10.7270/Q2RB74NQ
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial (Rattus norvegicus)	BDBM50236533 (CHEMBL316388) Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)c1ccc(cc1)C#N)C(=O)[C@@](C)(O)C(F)(F)F |r| Show InChI InChI=1S/C18H20F3N3O3/c1-11-10-24(16(26)17(3,27)18(19,20)21)12(2)9-23(11)15(25)14-6-4-13(8-22)5-7-14/h4-7,11-12,27H,9-10H2,1-3H3/t11-,12+,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats.				J Med Chem 43: 236-49 (2000) Article DOI: 10.1021/jm990358+ BindingDB Entry DOI: 10.7270/Q2B85BVQ
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial (Homo sapiens (Human))	BDBM50236533 (CHEMBL316388) Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)c1ccc(cc1)C#N)C(=O)[C@@](C)(O)C(F)(F)F |r| Show InChI InChI=1S/C18H20F3N3O3/c1-11-10-24(16(26)17(3,27)18(19,20)21)12(2)9-23(11)15(25)14-6-4-13(8-22)5-7-14/h4-7,11-12,27H,9-10H2,1-3H3/t11-,12+,17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against Pyruvate dehydrogenase kinase by primary enzymatic assay				J Med Chem 42: 2741-6 (1999) Article DOI: 10.1021/jm9902584 BindingDB Entry DOI: 10.7270/Q2G73HG0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50239480 (CHEMBL4074410) Show SMILES COc1ccc(cc1)-c1nnc(o1)-c1ccc2nc([nH]c2c1)-c1c(C)cc(CC(C)(C)C(O)=O)cc1C Show InChI InChI=1S/C29H28N4O4/c1-16-12-18(15-29(3,4)28(34)35)13-17(2)24(16)25-30-22-11-8-20(14-23(22)31-25)27-33-32-26(37-27)19-6-9-21(36-5)10-7-19/h6-14H,15H2,1-5H3,(H,30,31)(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged DGAT1 expressed in Sf9 insect cell membranes assessed as inhibition of triglyceride formation using diole...				J Med Chem 60: 4657-4664 (2017) Article DOI: 10.1021/acs.jmedchem.7b00173 BindingDB Entry DOI: 10.7270/Q2B27XF2
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial (Rattus norvegicus)	BDBM50472825 (CHEMBL81574) Show SMILES COC(=O)c1ccc(cc1)C(=O)N1C[C@H](C)N(C[C@H]1C)C(=O)[C@@](C)(O)C(F)(F)F Show InChI InChI=1S/C19H23F3N2O5/c1-11-10-24(17(27)18(3,28)19(20,21)22)12(2)9-23(11)15(25)13-5-7-14(8-6-13)16(26)29-4/h5-8,11-12,28H,9-10H2,1-4H3/t11-,12+,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats.				J Med Chem 43: 236-49 (2000) Article DOI: 10.1021/jm990358+ BindingDB Entry DOI: 10.7270/Q2B85BVQ
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50509648 (CHEMBL4439270) Show SMILES CC(C)(C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C23H27NO5/c1-23(2,22(28)29)15-19(24-20(25)12-13-21(26)27)14-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,19H,12-15H2,1-2H3,(H,24,25)(H,26,27)(H,28,29)/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant human NEP expressed in insect cells preincubated for 1 hr using Cys(PT14)-Arg-Arg-Leu-Trp-OH as substrate and measured afte...				ACS Med Chem Lett 11: 188-194 (2020) Article DOI: 10.1021/acsmedchemlett.9b00578 BindingDB Entry DOI: 10.7270/Q2C82DK4
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial (Rattus norvegicus)	BDBM50472811 (CHEMBL310879) Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)c1ccc(cc1)C(=O)c1ccccc1)C(=O)[C@@](C)(O)C(F)(F)F Show InChI InChI=1S/C24H25F3N2O4/c1-15-14-29(22(32)23(3,33)24(25,26)27)16(2)13-28(15)21(31)19-11-9-18(10-12-19)20(30)17-7-5-4-6-8-17/h4-12,15-16,33H,13-14H2,1-3H3/t15-,16+,23-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats.				J Med Chem 43: 236-49 (2000) Article DOI: 10.1021/jm990358+ BindingDB Entry DOI: 10.7270/Q2B85BVQ
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50509650 (CHEMBL4592467) Show SMILES Cc1ccccc1-c1ccc(C[C@H](CC(O)=O)NC(=O)CCC(O)=O)cc1 |r| Show InChI InChI=1S/C21H23NO5/c1-14-4-2-3-5-18(14)16-8-6-15(7-9-16)12-17(13-21(26)27)22-19(23)10-11-20(24)25/h2-9,17H,10-13H2,1H3,(H,22,23)(H,24,25)(H,26,27)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant human NEP expressed in insect cells preincubated for 1 hr using Cys(PT14)-Arg-Arg-Leu-Trp-OH as substrate and measured afte...				ACS Med Chem Lett 11: 188-194 (2020) Article DOI: 10.1021/acsmedchemlett.9b00578 BindingDB Entry DOI: 10.7270/Q2C82DK4
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial (Homo sapiens (Human))	BDBM50472310 (CHEMBL84231) Show SMILES C[C@@H]1CN(CCN1C(=O)OCc1ccccc1)C(=O)[C@@](C)(O)C(F)(F)F Show InChI InChI=1S/C17H21F3N2O4/c1-12-10-21(14(23)16(2,25)17(18,19)20)8-9-22(12)15(24)26-11-13-6-4-3-5-7-13/h3-7,12,25H,8-11H2,1-2H3/t12-,16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against Pyruvate dehydrogenase kinase by primary enzymatic assay				J Med Chem 42: 2741-6 (1999) Article DOI: 10.1021/jm9902584 BindingDB Entry DOI: 10.7270/Q2G73HG0
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50291256 (CHEMBL152129 | Sodium; (E)-(3R,5S)-7-[5-(4-chloro-...) Show SMILES CC(C)c1sc(c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H26ClFO4S/c1-15(2)25-22(12-11-20(29)13-21(30)14-23(31)32)24(16-5-9-19(28)10-6-16)26(33-25)17-3-7-18(27)8-4-17/h3-12,15,20-21,29-30H,13-14H2,1-2H3,(H,31,32)/p-1/b12-11+/t20-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested in vitro for the HMG-CoA reductase inhibitory activity in a microsomal preparation				Bioorg Med Chem Lett 7: 549-554 (1997) Article DOI: 10.1016/S0960-894X(97)00065-6 BindingDB Entry DOI: 10.7270/Q2RB74NQ
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial (Rattus norvegicus)	BDBM50472310 (CHEMBL84231) Show SMILES C[C@@H]1CN(CCN1C(=O)OCc1ccccc1)C(=O)[C@@](C)(O)C(F)(F)F Show InChI InChI=1S/C17H21F3N2O4/c1-12-10-21(14(23)16(2,25)17(18,19)20)8-9-22(12)15(24)26-11-13-6-4-3-5-7-13/h3-7,12,25H,8-11H2,1-2H3/t12-,16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats.				J Med Chem 43: 236-49 (2000) Article DOI: 10.1021/jm990358+ BindingDB Entry DOI: 10.7270/Q2B85BVQ
					More data for this Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (Homo sapiens (Human))	BDBM50239484 (CHEMBL4103025) Show SMILES COc1ccc(cc1)-c1nnc(o1)-c1ccc2nc([nH]c2c1)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C22H14Cl2N4O2/c1-29-14-8-5-12(6-9-14)21-27-28-22(30-21)13-7-10-17-18(11-13)26-20(25-17)19-15(23)3-2-4-16(19)24/h2-11H,1H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-tagged DGAT1 expressed in Sf9 insect cell membranes assessed as inhibition of triglyceride formation using diole...				J Med Chem 60: 4657-4664 (2017) Article DOI: 10.1021/acs.jmedchem.7b00173 BindingDB Entry DOI: 10.7270/Q2B27XF2
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50509660 (CHEMBL4434901) Show SMILES OC(=O)CCC(=O)N[C@@H](CC(O)=O)Cc1ccc(cc1)-c1ccccc1F |r| Show InChI InChI=1S/C20H20FNO5/c21-17-4-2-1-3-16(17)14-7-5-13(6-8-14)11-15(12-20(26)27)22-18(23)9-10-19(24)25/h1-8,15H,9-12H2,(H,22,23)(H,24,25)(H,26,27)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant human NEP expressed in insect cells preincubated for 1 hr using Cys(PT14)-Arg-Arg-Leu-Trp-OH as substrate and measured afte...				ACS Med Chem Lett 11: 188-194 (2020) Article DOI: 10.1021/acsmedchemlett.9b00578 BindingDB Entry DOI: 10.7270/Q2C82DK4
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial (Rattus norvegicus)	BDBM50472831 (CHEMBL84271) Show SMILES C[C@@H]1CN(CCN1S(=O)(=O)c1cccc2ccccc12)C(=O)[C@@](C)(O)C(F)(F)F Show InChI InChI=1S/C19H21F3N2O4S/c1-13-12-23(17(25)18(2,26)19(20,21)22)10-11-24(13)29(27,28)16-9-5-7-14-6-3-4-8-15(14)16/h3-9,13,26H,10-12H2,1-2H3/t13-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory activity tested against Pyruvate Dehydrogenase Kinase (PDHK) receptor from rats.				J Med Chem 43: 236-49 (2000) Article DOI: 10.1021/jm990358+ BindingDB Entry DOI: 10.7270/Q2B85BVQ
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM7494 (US8822534, 5-36 | US8822534, Example 5-1 | US89936...) Show SMILES OC(=O)CCC(=O)N[C@@H](CC(O)=O)Cc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C20H21NO5/c22-18(10-11-19(23)24)21-17(13-20(25)26)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17H,10-13H2,(H,21,22)(H,23,24)(H,25,26)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant human NEP expressed in insect cells preincubated for 1 hr using Cys(PT14)-Arg-Arg-Leu-Trp-OH as substrate and measured afte...				ACS Med Chem Lett 11: 188-194 (2020) Article DOI: 10.1021/acsmedchemlett.9b00578 BindingDB Entry DOI: 10.7270/Q2C82DK4
					More data for this Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM50291252 (CHEMBL152551 | Sodium; (E)-(3R,5S)-7-[4-(4-fluoro-...) Show SMILES CC(C)c1sc(C(C)C)c(c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1 Show InChI InChI=1S/C23H29FO4S/c1-13(2)22-19(10-9-17(25)11-18(26)12-20(27)28)21(23(29-22)14(3)4)15-5-7-16(24)8-6-15/h5-10,13-14,17-18,25-26H,11-12H2,1-4H3,(H,27,28)/p-1/b10-9+/t17-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested in vitro for the HMG-CoA reductase inhibitory activity in a microsomal preparation				Bioorg Med Chem Lett 7: 549-554 (1997) Article DOI: 10.1016/S0960-894X(97)00065-6 BindingDB Entry DOI: 10.7270/Q2RB74NQ
					More data for this Ligand-Target Pair

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