Compile Data Set for Download or QSAR

Found 501 hits with Last Name = 'mogi' and Initial = 'm'   

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
Serine/threonine-protein kinase WNK1 [166-489] (Homo sapiens (Human))	BDBM203827 (N-(tert-butyl)-1-(1-(5-(5-(trifluoromethyl)-1,3,4-...) Show SMILES CC(C)(C)NC(=O)c1cncn1C1CCN(CC1)c1ccc(cc1)-c1nnc(o1)C(F)(F)F Show InChI InChI=1S/C22H25F3N6O2/c1-21(2,3)27-18(32)17-12-26-13-31(17)16-8-10-30(11-9-16)15-6-4-14(5-7-15)19-28-29-20(33-19)22(23,24)25/h4-7,12-13,16H,8-11H2,1-3H3,(H,27,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.3	25
Novartis Institutes					Assay Description Each well of the MBP-coated ScintiPlates held 100 ul of a solution containing 20 mM HEPES pH 7.3, 5 mM MnCl2 (WNK1 and WNK4) or 3 mM MnCl2 (WNK2 and ...				Nat Chem Biol 12: 896-898 (2016) Article DOI: 10.1038/nchembio.2168 BindingDB Entry DOI: 10.7270/Q2ZK5FH5
					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
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50344356 (CHEMBL1779676 | ethyl 3-(3-(7-hydroxynaphthalen-1-...) Show SMILES CCOC(=O)c1cccc(NC(=O)Nc2cccc3ccc(O)cc23)c1 Show InChI InChI=1S/C20H18N2O4/c1-2-26-19(24)14-6-3-7-15(11-14)21-20(25)22-18-8-4-5-13-9-10-16(23)12-17(13)18/h3-12,23H,2H2,1H3,(H2,21,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Yakuhin, Ltd Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin-i...				Bioorg Med Chem Lett 21: 3354-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.013 BindingDB Entry DOI: 10.7270/Q2NG4QXN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50344356 (CHEMBL1779676 | ethyl 3-(3-(7-hydroxynaphthalen-1-...) Show SMILES CCOC(=O)c1cccc(NC(=O)Nc2cccc3ccc(O)cc23)c1 Show InChI InChI=1S/C20H18N2O4/c1-2-26-19(24)14-6-3-7-15(11-14)21-20(25)22-18-8-4-5-13-9-10-16(23)12-17(13)18/h3-12,23H,2H2,1H3,(H2,21,22,25)	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	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Yakuhin, Ltd Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...				Bioorg Med Chem Lett 21: 3354-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.013 BindingDB Entry DOI: 10.7270/Q2NG4QXN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50344367 (1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(7-hydrox...) Show SMILES Oc1ccc2cccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c2c1 Show InChI InChI=1S/C18H12ClF3N2O2/c19-15-7-5-11(8-14(15)18(20,21)22)23-17(26)24-16-3-1-2-10-4-6-12(25)9-13(10)16/h1-9,25H,(H2,23,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Yakuhin, Ltd Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin-i...				Bioorg Med Chem Lett 21: 3354-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.013 BindingDB Entry DOI: 10.7270/Q2NG4QXN
					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
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50344378 (1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(2,3-dich...) Show SMILES Oc1ccc2cc(Cl)c(Cl)c(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c2c1 Show InChI InChI=1S/C18H10Cl3F3N2O2/c19-13-4-2-9(6-12(13)18(22,23)24)25-17(28)26-16-11-7-10(27)3-1-8(11)5-14(20)15(16)21/h1-7,27H,(H2,25,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Yakuhin, Ltd Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin-i...				Bioorg Med Chem Lett 21: 3354-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.013 BindingDB Entry DOI: 10.7270/Q2NG4QXN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50344367 (1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(7-hydrox...) Show SMILES Oc1ccc2cccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c2c1 Show InChI InChI=1S/C18H12ClF3N2O2/c19-15-7-5-11(8-14(15)18(20,21)22)23-17(26)24-16-3-1-2-10-4-6-12(25)9-13(10)16/h1-9,25H,(H2,23,24,26)	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	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Yakuhin, Ltd Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...				Bioorg Med Chem Lett 21: 3354-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.013 BindingDB Entry DOI: 10.7270/Q2NG4QXN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50344367 (1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(7-hydrox...) Show SMILES Oc1ccc2cccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c2c1 Show InChI InChI=1S/C18H12ClF3N2O2/c19-15-7-5-11(8-14(15)18(20,21)22)23-17(26)24-16-3-1-2-10-4-6-12(25)9-13(10)16/h1-9,25H,(H2,23,24,26)	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	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Yakuhin, Ltd Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHOluc9aeq cells assessed as inhibition of capsaicin-stimulated response by aequorin and CRE-lucifear...				Bioorg Med Chem Lett 22: 3408-11 (2012) Article DOI: 10.1016/j.bmcl.2012.03.108 BindingDB Entry DOI: 10.7270/Q2C24XF7
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM50524347 (CHEMBL4535197) Show SMILES N[C@H](CO)c1cccc(c1)-c1cc(Br)cc(COc2ccccc2CC(O)=O)c1 |r| Show InChI InChI=1S/C23H22BrNO4/c24-20-9-15(14-29-22-7-2-1-4-18(22)12-23(27)28)8-19(11-20)16-5-3-6-17(10-16)21(25)13-26/h1-11,21,26H,12-14,25H2,(H,27,28)/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of 2-((1E,3E,5E)-5-(1-(6-((((3S,5S)-1-((1-carbamoyl-1H-indol-3-yl)carbamoyl)-5-((3-chloro-2-fluorobenzyl)carbamoyl)-3-fluoropyrrolidin-3-y...				J Med Chem 62: 4656-4668 (2019) Article DOI: 10.1021/acs.jmedchem.9b00271 BindingDB Entry DOI: 10.7270/Q2CC144N
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50344348 (1-(3-chlorophenyl)-3-(7-hydroxynaphthalen-1-yl)ure...) Show SMILES Oc1ccc2cccc(NC(=O)Nc3cccc(Cl)c3)c2c1 Show InChI InChI=1S/C17H13ClN2O2/c18-12-4-2-5-13(9-12)19-17(22)20-16-6-1-3-11-7-8-14(21)10-15(11)16/h1-10,21H,(H2,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Yakuhin, Ltd Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin-i...				Bioorg Med Chem Lett 21: 3354-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.013 BindingDB Entry DOI: 10.7270/Q2NG4QXN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50382237 (CHEMBL2024668) Show SMILES OC1CCc2cccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c2C1 Show InChI InChI=1S/C18H16ClF3N2O2/c19-15-7-5-11(8-14(15)18(20,21)22)23-17(26)24-16-3-1-2-10-4-6-12(25)9-13(10)16/h1-3,5,7-8,12,25H,4,6,9H2,(H2,23,24,26)	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	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Yakuhin, Ltd Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHOluc9aeq cells assessed as inhibition of capsaicin-stimulated response by aequorin and CRE-lucifear...				Bioorg Med Chem Lett 22: 3408-11 (2012) Article DOI: 10.1016/j.bmcl.2012.03.108 BindingDB Entry DOI: 10.7270/Q2C24XF7
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50382237 (CHEMBL2024668) Show SMILES OC1CCc2cccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c2C1 Show InChI InChI=1S/C18H16ClF3N2O2/c19-15-7-5-11(8-14(15)18(20,21)22)23-17(26)24-16-3-1-2-10-4-6-12(25)9-13(10)16/h1-3,5,7-8,12,25H,4,6,9H2,(H2,23,24,26)	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	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Yakuhin, Ltd Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHOluc9aeq cells assessed as inhibition of capsaicin-stimulated response by aequorin and CRE-lucifear...				Bioorg Med Chem Lett 22: 3408-11 (2012) Article DOI: 10.1016/j.bmcl.2012.03.108 BindingDB Entry DOI: 10.7270/Q2C24XF7
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50344377 (1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(2-chloro...) Show SMILES Oc1ccc2ccc(Cl)c(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c2c1 Show InChI InChI=1S/C18H11Cl2F3N2O2/c19-14-6-3-10(7-13(14)18(21,22)23)24-17(27)25-16-12-8-11(26)4-1-9(12)2-5-15(16)20/h1-8,26H,(H2,24,25,27)	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	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Yakuhin, Ltd Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...				Bioorg Med Chem Lett 21: 3354-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.013 BindingDB Entry DOI: 10.7270/Q2NG4QXN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50344345 (1-(7-hydroxynaphthalen-1-yl)-3-(3-(trifluoromethyl...) Show SMILES Oc1ccc2cccc(NC(=O)Nc3cccc(c3)C(F)(F)F)c2c1 Show InChI InChI=1S/C18H13F3N2O2/c19-18(20,21)12-4-2-5-13(9-12)22-17(25)23-16-6-1-3-11-7-8-14(24)10-15(11)16/h1-10,24H,(H2,22,23,25)	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	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Yakuhin, Ltd Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...				Bioorg Med Chem Lett 21: 3354-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.013 BindingDB Entry DOI: 10.7270/Q2NG4QXN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM20412 (3-(7-hydroxynaphthalen-1-yl)-1-[3-(methylsulfanyl)...) Show SMILES CSc1cccc(NC(=O)Nc2cccc3ccc(O)cc23)c1 Show InChI InChI=1S/C18H16N2O2S/c1-23-15-6-3-5-13(10-15)19-18(22)20-17-7-2-4-12-8-9-14(21)11-16(12)17/h2-11,21H,1H3,(H2,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Yakuhin, Ltd Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...				Bioorg Med Chem Lett 21: 3354-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.013 BindingDB Entry DOI: 10.7270/Q2NG4QXN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50344377 (1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(2-chloro...) Show SMILES Oc1ccc2ccc(Cl)c(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c2c1 Show InChI InChI=1S/C18H11Cl2F3N2O2/c19-14-6-3-10(7-13(14)18(21,22)23)24-17(27)25-16-12-8-11(26)4-1-9(12)2-5-15(16)20/h1-8,26H,(H2,24,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL 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
Bayer Yakuhin, Ltd Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin-i...				Bioorg Med Chem Lett 21: 3354-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.013 BindingDB Entry DOI: 10.7270/Q2NG4QXN
					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
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50344345 (1-(7-hydroxynaphthalen-1-yl)-3-(3-(trifluoromethyl...) Show SMILES Oc1ccc2cccc(NC(=O)Nc3cccc(c3)C(F)(F)F)c2c1 Show InChI InChI=1S/C18H13F3N2O2/c19-18(20,21)12-4-2-5-13(9-12)22-17(25)23-16-6-1-3-11-7-8-14(24)10-15(11)16/h1-10,24H,(H2,22,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL 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
Bayer Yakuhin, Ltd Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin-i...				Bioorg Med Chem Lett 21: 3354-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.013 BindingDB Entry DOI: 10.7270/Q2NG4QXN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50344363 (1-(3,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl...) Show SMILES Oc1ccc2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2c1 Show InChI InChI=1S/C17H12Cl2N2O2/c18-14-7-5-11(8-15(14)19)20-17(23)21-16-3-1-2-10-4-6-12(22)9-13(10)16/h1-9,22H,(H2,20,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL 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
Bayer Yakuhin, Ltd Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin-i...				Bioorg Med Chem Lett 21: 3354-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.013 BindingDB Entry DOI: 10.7270/Q2NG4QXN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50344372 (1-(3-bromo-2-chloro-7-hydroxynaphthalen-1-yl)-3-(4...) Show SMILES Oc1ccc2cc(Br)c(Cl)c(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c2c1 Show InChI InChI=1S/C18H10BrCl2F3N2O2/c19-13-5-8-1-3-10(27)7-11(8)16(15(13)21)26-17(28)25-9-2-4-14(20)12(6-9)18(22,23)24/h1-7,27H,(H2,25,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Yakuhin, Ltd Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin-i...				Bioorg Med Chem Lett 21: 3354-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.013 BindingDB Entry DOI: 10.7270/Q2NG4QXN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50344363 (1-(3,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl...) Show SMILES Oc1ccc2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2c1 Show InChI InChI=1S/C17H12Cl2N2O2/c18-14-7-5-11(8-15(14)19)20-17(23)21-16-3-1-2-10-4-6-12(22)9-13(10)16/h1-9,22H,(H2,20,21,23)	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	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Yakuhin, Ltd Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...				Bioorg Med Chem Lett 21: 3354-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.013 BindingDB Entry DOI: 10.7270/Q2NG4QXN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM50344346 (1-(7-hydroxynaphthalen-1-yl)-3-(4-(trifluoromethyl...) Show SMILES Oc1ccc2cccc(NC(=O)Nc3ccc(cc3)C(F)(F)F)c2c1 Show InChI InChI=1S/C18H13F3N2O2/c19-18(20,21)12-5-7-13(8-6-12)22-17(25)23-16-3-1-2-11-4-9-14(24)10-15(11)16/h1-10,24H,(H2,22,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Yakuhin, Ltd Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin-i...				Bioorg Med Chem Lett 21: 3354-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.013 BindingDB Entry DOI: 10.7270/Q2NG4QXN
					More data for this Ligand-Target Pair
Complement factor D (Homo sapiens (Human))	BDBM50462108 (CHEMBL4246585) Show SMILES N[C@H](CO)c1cccc(c1)-c1cc(CO)cc(COc2ccccc2CC(O)=O)c1 |r| Show InChI InChI=1S/C24H25NO5/c25-22(14-27)19-6-3-5-18(11-19)21-9-16(13-26)8-17(10-21)15-30-23-7-2-1-4-20(23)12-24(28)29/h1-11,22,26-27H,12-15,25H2,(H,28,29)/t22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	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 2-((1E,3E,5E)-5-(1-(6-((((3S,5S)-1-((1-carbamoyl-1H-indol-3-yl)carbamoyl)-5-((3-chloro-2-fluorobenzyl)carbamoyl)-3-fluoropyrrolidin-3-y...				J Med Chem 62: 4656-4668 (2019) Article DOI: 10.1021/acs.jmedchem.9b00271 BindingDB Entry DOI: 10.7270/Q2CC144N
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase WNK1 [1-491] (Homo sapiens (Human))	BDBM203827 (N-(tert-butyl)-1-(1-(5-(5-(trifluoromethyl)-1,3,4-...) Show SMILES CC(C)(C)NC(=O)c1cncn1C1CCN(CC1)c1ccc(cc1)-c1nnc(o1)C(F)(F)F Show InChI InChI=1S/C22H25F3N6O2/c1-21(2,3)27-18(32)17-12-26-13-31(17)16-8-10-30(11-9-16)15-6-4-14(5-7-15)19-28-29-20(33-19)22(23,24)25/h4-7,12-13,16H,8-11H2,1-3H3,(H,27,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.3	25
Novartis Institutes					Assay Description Each well of the MBP-coated ScintiPlates held 100 ul of a solution containing 20 mM HEPES pH 7.3, 5 mM MnCl2 (WNK1 and WNK4) or 3 mM MnCl2 (WNK2 and ...				Nat Chem Biol 12: 896-898 (2016) Article DOI: 10.1038/nchembio.2168 BindingDB Entry DOI: 10.7270/Q2ZK5FH5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50344346 (1-(7-hydroxynaphthalen-1-yl)-3-(4-(trifluoromethyl...) Show SMILES Oc1ccc2cccc(NC(=O)Nc3ccc(cc3)C(F)(F)F)c2c1 Show InChI InChI=1S/C18H13F3N2O2/c19-18(20,21)12-5-7-13(8-6-12)22-17(25)23-16-3-1-2-11-4-9-14(24)10-15(11)16/h1-10,24H,(H2,22,23,25)	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	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Yakuhin, Ltd Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...				Bioorg Med Chem Lett 21: 3354-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.013 BindingDB Entry DOI: 10.7270/Q2NG4QXN
					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
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50344355 (1-(3-bromophenyl)-3-(7-hydroxynaphthalen-1-yl)urea...) Show SMILES Oc1ccc2cccc(NC(=O)Nc3cccc(Br)c3)c2c1 Show InChI InChI=1S/C17H13BrN2O2/c18-12-4-2-5-13(9-12)19-17(22)20-16-6-1-3-11-7-8-14(21)10-15(11)16/h1-10,21H,(H2,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Yakuhin, Ltd Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...				Bioorg Med Chem Lett 21: 3354-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.013 BindingDB Entry DOI: 10.7270/Q2NG4QXN
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50344378 (1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(2,3-dich...) Show SMILES Oc1ccc2cc(Cl)c(Cl)c(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c2c1 Show InChI InChI=1S/C18H10Cl3F3N2O2/c19-13-4-2-9(6-12(13)18(22,23)24)25-17(28)26-16-11-7-10(27)3-1-8(11)5-14(20)15(16)21/h1-7,27H,(H2,25,26,28)	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	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Yakuhin, Ltd Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...				Bioorg Med Chem Lett 21: 3354-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.013 BindingDB Entry DOI: 10.7270/Q2NG4QXN
					More data for this Ligand-Target Pair
Complement factor B (Homo sapiens (Human))	BDBM50540314 (CHEMBL4639592) Show SMILES CCO[C@H]1CCN(Cc2c(cc(C)c3[nH]ccc23)C2CC2)[C@@H](C1)c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C27H32N2O3/c1-3-32-21-11-13-29(25(15-21)19-6-8-20(9-7-19)27(30)31)16-24-22-10-12-28-26(22)17(2)14-23(24)18-4-5-18/h6-10,12,14,18,21,25,28H,3-5,11,13,15-16H2,1-2H3,(H,30,31)/t21-,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	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 human serine protease factor B by TR-FRET based competition binding assay				J Med Chem 63: 5697-5722 (2020) Article DOI: 10.1021/acs.jmedchem.9b01870 BindingDB Entry DOI: 10.7270/Q21N84P4
					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)
Serine/threonine-protein kinase WNK1 [1-434] (Homo sapiens (Human))	BDBM203827 (N-(tert-butyl)-1-(1-(5-(5-(trifluoromethyl)-1,3,4-...) Show SMILES CC(C)(C)NC(=O)c1cncn1C1CCN(CC1)c1ccc(cc1)-c1nnc(o1)C(F)(F)F Show InChI InChI=1S/C22H25F3N6O2/c1-21(2,3)27-18(32)17-12-26-13-31(17)16-8-10-30(11-9-16)15-6-4-14(5-7-15)19-28-29-20(33-19)22(23,24)25/h4-7,12-13,16H,8-11H2,1-3H3,(H,27,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	7.3	25
Novartis Institutes					Assay Description Each well of the MBP-coated ScintiPlates held 100 ul of a solution containing 20 mM HEPES pH 7.3, 5 mM MnCl2 (WNK1 and WNK4) or 3 mM MnCl2 (WNK2 and ...				Nat Chem Biol 12: 896-898 (2016) Article DOI: 10.1038/nchembio.2168 BindingDB Entry DOI: 10.7270/Q2ZK5FH5
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50344348 (1-(3-chlorophenyl)-3-(7-hydroxynaphthalen-1-yl)ure...) Show SMILES Oc1ccc2cccc(NC(=O)Nc3cccc(Cl)c3)c2c1 Show InChI InChI=1S/C17H13ClN2O2/c18-12-4-2-5-13(9-12)19-17(22)20-16-6-1-3-11-7-8-14(21)10-15(11)16/h1-10,21H,(H2,19,20,22)	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	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Yakuhin, Ltd Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...				Bioorg Med Chem Lett 21: 3354-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.013 BindingDB Entry DOI: 10.7270/Q2NG4QXN
					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
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM50344372 (1-(3-bromo-2-chloro-7-hydroxynaphthalen-1-yl)-3-(4...) Show SMILES Oc1ccc2cc(Br)c(Cl)c(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c2c1 Show InChI InChI=1S/C18H10BrCl2F3N2O2/c19-13-5-8-1-3-10(27)7-11(8)16(15(13)21)26-17(28)25-9-2-4-14(20)12(6-9)18(22,23)24/h1-7,27H,(H2,25,26,28)	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	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Yakuhin, Ltd Curated by ChEMBL					Assay Description Antagonist activity at human TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin...				Bioorg Med Chem Lett 21: 3354-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.013 BindingDB Entry DOI: 10.7270/Q2NG4QXN
					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
Transient receptor potential cation channel subfamily V member 1 (Rattus norvegicus (rat))	BDBM20412 (3-(7-hydroxynaphthalen-1-yl)-1-[3-(methylsulfanyl)...) Show SMILES CSc1cccc(NC(=O)Nc2cccc3ccc(O)cc23)c1 Show InChI InChI=1S/C18H16N2O2S/c1-23-15-6-3-5-13(10-15)19-18(22)20-17-7-2-4-12-8-9-14(21)11-16(12)17/h2-11,21H,1H3,(H2,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Yakuhin, Ltd Curated by ChEMBL					Assay Description Antagonist activity at rat TRPV1 expressed in CHO cells co-expressing aequorin and CRE-luciferase reporter gene assessed as inhibition of capsaicin-i...				Bioorg Med Chem Lett 21: 3354-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.013 BindingDB Entry DOI: 10.7270/Q2NG4QXN
					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

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