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Compile Data Set for Download or QSAR

Found 217 hits with Last Name = 'nechuta' and Initial = 'tl'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Neprilysin


(Oryctolagus cuniculus (rabbit))		BDBM50039513
PNG
((S)-2-((S)-2-Mercaptomethyl-3-phenyl-propionylamin...)
Show SMILES CSC[C@@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C14H19NO3S2/c1-20-9-12(14(17)18)15-13(16)11(8-19)7-10-5-3-2-4-6-10/h2-6,11-12,19H,7-9H2,1H3,(H,15,16)(H,17,18)/t11-,12-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against neutral endopeptidase (NEP)

J Med Chem 37: 2461-76 (1994)


BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))		BDBM50039499
PNG
((S)-2-((S)-2-Mercaptomethyl-3-phenyl-propionylamin...)
Show SMILES COc1ccc(CSC[C@@H](NC(=O)[C@@H](CS)Cc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C21H25NO4S2/c1-26-18-9-7-16(8-10-18)13-28-14-19(21(24)25)22-20(23)17(12-27)11-15-5-3-2-4-6-15/h2-10,17,19,27H,11-14H2,1H3,(H,22,23)(H,24,25)/t17-,19-/m1/s1
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Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against neutral endopeptidase (NEP)

J Med Chem 37: 2461-76 (1994)


BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))		BDBM50039541
PNG
((S)-2-((S)-2-Mercaptomethyl-3-naphthalen-1-yl-prop...)
Show SMILES Cc1ccc(CSC[C@@H](NC(=O)[C@@H](CS)Cc2cccc3ccccc23)C(O)=O)cc1
Show InChI InChI=1S/C25H27NO3S2/c1-17-9-11-18(12-10-17)15-31-16-23(25(28)29)26-24(27)21(14-30)13-20-7-4-6-19-5-2-3-8-22(19)20/h2-12,21,23,30H,13-16H2,1H3,(H,26,27)(H,28,29)/t21-,23-/m1/s1
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Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against neutral endopeptidase (NEP)

J Med Chem 37: 2461-76 (1994)


BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))		BDBM50039530
PNG
((S)-3-Ethylsulfanyl-2-((S)-2-mercaptomethyl-3-phen...)
Show SMILES CCSC[C@@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C15H21NO3S2/c1-2-21-10-13(15(18)19)16-14(17)12(9-20)8-11-6-4-3-5-7-11/h3-7,12-13,20H,2,8-10H2,1H3,(H,16,17)(H,18,19)/t12-,13-/m1/s1
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n/an/a 2.40n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against neutral endopeptidase (NEP)

J Med Chem 37: 2461-76 (1994)


BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))		BDBM50039537
PNG
((R)-2-(2-Mercaptomethyl-pentanoylamino)-4-methylsu...)
Show SMILES CCCC(CS)C(=O)N[C@H](CCSC)C(O)=O
Show InChI InChI=1S/C11H21NO3S2/c1-3-4-8(7-16)10(13)12-9(11(14)15)5-6-17-2/h8-9,16H,3-7H2,1-2H3,(H,12,13)(H,14,15)/t8?,9-/m1/s1
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Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against neutral endopeptidase (NEP)

J Med Chem 37: 2461-76 (1994)


BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))		BDBM50039508
PNG
((S)-3-Benzylsulfanyl-2-[(S)-3-(4-chloro-phenyl)-2-...)
Show SMILES OC(=O)[C@@H](CSCc1ccccc1)NC(=O)[C@@H](CS)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C20H22ClNO3S2/c21-17-8-6-14(7-9-17)10-16(11-26)19(23)22-18(20(24)25)13-27-12-15-4-2-1-3-5-15/h1-9,16,18,26H,10-13H2,(H,22,23)(H,24,25)/t16-,18-/m1/s1
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Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against neutral endopeptidase (NEP)

J Med Chem 37: 2461-76 (1994)


BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50476438
PNG
(CHEMBL233298)
Show SMILES [H][C@]1(CCC[C@H](COC(=O)N2CCC(CC2)N2CCCCC2)N1S(=O)(=O)c1ccc(Cl)cc1)c1cccc(F)c1 |r|
Show InChI InChI=1S/C29H37ClFN3O4S/c30-23-10-12-27(13-11-23)39(36,37)34-26(8-5-9-28(34)22-6-4-7-24(31)20-22)21-38-29(35)33-18-14-25(15-19-33)32-16-2-1-3-17-32/h4,6-7,10-13,20,25-26,28H,1-3,5,8-9,14-19,21H2/t26-,28+/m1/s1
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Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid-beta peptid aggregation

Bioorg Med Chem Lett 17: 57-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.094
BindingDB Entry DOI: 10.7270/Q2ZP48WP
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))		BDBM50039509
PNG
((R)-2-[(1-Mercaptomethyl-cyclopentanecarbonyl)-ami...)
Show SMILES CSCC[C@@H](NC(=O)C1(CS)CCCC1)C(O)=O
Show InChI InChI=1S/C12H21NO3S2/c1-18-7-4-9(10(14)15)13-11(16)12(8-17)5-2-3-6-12/h9,17H,2-8H2,1H3,(H,13,16)(H,14,15)/t9-/m1/s1
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n/an/a 3.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against neutral endopeptidase (NEP)

J Med Chem 37: 2461-76 (1994)


BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))		BDBM50039515
PNG
((R)-2-((R)-2-Mercaptomethyl-3-phenyl-propionylamin...)
Show SMILES CSCC[C@@H](NC(=O)[C@H](CS)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C15H21NO3S2/c1-21-8-7-13(15(18)19)16-14(17)12(10-20)9-11-5-3-2-4-6-11/h2-6,12-13,20H,7-10H2,1H3,(H,16,17)(H,18,19)/t12-,13+/m0/s1
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n/an/a 3.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against neutral endopeptidase (NEP)

J Med Chem 37: 2461-76 (1994)


BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50476450
PNG
(CHEMBL233724)
Show SMILES [H][C@]1(CCC[C@H](COC(=O)N2CCC(CC2)N2CCCCC2)N1S(=O)(=O)c1ccc(Cl)cc1)c1cc(F)cc(F)c1
Show InChI InChI=1S/C29H36ClF2N3O4S/c30-22-7-9-27(10-8-22)40(37,38)35-26(5-4-6-28(35)21-17-23(31)19-24(32)18-21)20-39-29(36)34-15-11-25(12-16-34)33-13-2-1-3-14-33/h7-10,17-19,25-26,28H,1-6,11-16,20H2/t26-,28+/m1/s1
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Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid-beta peptid aggregation

Bioorg Med Chem Lett 17: 57-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.094
BindingDB Entry DOI: 10.7270/Q2ZP48WP
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))		BDBM50039538
PNG
((R)-2-(2-Mercaptomethyl-3-phenyl-propionylamino)-4...)
Show SMILES CSCC[C@@H](NC(=O)C(CS)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C15H21NO3S2/c1-21-8-7-13(15(18)19)16-14(17)12(10-20)9-11-5-3-2-4-6-11/h2-6,12-13,20H,7-10H2,1H3,(H,16,17)(H,18,19)/t12?,13-/m1/s1
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Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against neutral endopeptidase (NEP)

J Med Chem 37: 2461-76 (1994)


BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))		BDBM50322938
PNG
(2-(3-chloro-4-fluorophenyl)-N-(3,5-difluorophenyl)...)
Show SMILES Fc1cc(F)cc(NC(=O)N2CCC3(CC2)C(N(C3=O)c2ccc(F)c(Cl)c2)c2ccccn2)c1
Show InChI InChI=1S/C25H20ClF3N4O2/c26-19-14-18(4-5-20(19)29)33-22(21-3-1-2-8-30-21)25(23(33)34)6-9-32(10-7-25)24(35)31-17-12-15(27)11-16(28)13-17/h1-5,8,11-14,22H,6-7,9-10H2,(H,31,35)
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human CaV3.2 expressed in HEK293 cells at -100 mV membrane potential by Ionworks HT assay

Bioorg Med Chem Lett 20: 4602-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.012
BindingDB Entry DOI: 10.7270/Q2NS0V34
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))		BDBM50322938
PNG
(2-(3-chloro-4-fluorophenyl)-N-(3,5-difluorophenyl)...)
Show SMILES Fc1cc(F)cc(NC(=O)N2CCC3(CC2)C(N(C3=O)c2ccc(F)c(Cl)c2)c2ccccn2)c1
Show InChI InChI=1S/C25H20ClF3N4O2/c26-19-14-18(4-5-20(19)29)33-22(21-3-1-2-8-30-21)25(23(33)34)6-9-32(10-7-25)24(35)31-17-12-15(27)11-16(28)13-17/h1-5,8,11-14,22H,6-7,9-10H2,(H,31,35)
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n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human CaV3.2 expressed in HEK293 cells at -100 mV membrane potential by Ionworks HT assay

Bioorg Med Chem Lett 20: 4602-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.012
BindingDB Entry DOI: 10.7270/Q2NS0V34
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))		BDBM50039516
PNG
((R)-4-Ethylsulfanyl-2-((S)-2-mercaptomethyl-3-phen...)
Show SMILES CCSCC[C@@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H23NO3S2/c1-2-22-9-8-14(16(19)20)17-15(18)13(11-21)10-12-6-4-3-5-7-12/h3-7,13-14,21H,2,8-11H2,1H3,(H,17,18)(H,19,20)/t13-,14-/m1/s1
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Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against neutral endopeptidase (NEP)

J Med Chem 37: 2461-76 (1994)


BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))		BDBM50039504
PNG
((S)-3-Ethylsulfanyl-2-(2-mercaptomethyl-3-phenyl-p...)
Show SMILES CCSC[C@@H](NC(=O)C(CS)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C15H21NO3S2/c1-2-21-10-13(15(18)19)16-14(17)12(9-20)8-11-6-4-3-5-7-11/h3-7,12-13,20H,2,8-10H2,1H3,(H,16,17)(H,18,19)/t12?,13-/m1/s1
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Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against neutral endopeptidase (NEP)

J Med Chem 37: 2461-76 (1994)


BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))		BDBM50039523
PNG
((R)-2-((S)-2-Mercaptomethyl-3-phenyl-propionylamin...)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C15H21NO3S2/c1-21-8-7-13(15(18)19)16-14(17)12(10-20)9-11-5-3-2-4-6-11/h2-6,12-13,20H,7-10H2,1H3,(H,16,17)(H,18,19)/t12-,13-/m1/s1
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Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against neutral endopeptidase (NEP)

J Med Chem 37: 2461-76 (1994)


BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))		BDBM50039529
PNG
((R)-2-((S)-2-Mercaptomethyl-3-o-tolyl-propionylami...)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](CS)Cc1ccccc1C)C(O)=O
Show InChI InChI=1S/C16H23NO3S2/c1-11-5-3-4-6-12(11)9-13(10-21)15(18)17-14(16(19)20)7-8-22-2/h3-6,13-14,21H,7-10H2,1-2H3,(H,17,18)(H,19,20)/t13-,14-/m1/s1
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Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against neutral endopeptidase (NEP)

J Med Chem 37: 2461-76 (1994)


BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50476437
PNG
(CHEMBL398137)
Show SMILES [H][C@]1(CCC[C@H](COC(=O)N2CCC(CC2C)N2CCCCC2)N1S(=O)(=O)c1ccc(Cl)cc1)c1cc(F)cc(F)c1
Show InChI InChI=1S/C30H38ClF2N3O4S/c1-21-16-26(34-13-3-2-4-14-34)12-15-35(21)30(37)40-20-27-6-5-7-29(22-17-24(32)19-25(33)18-22)36(27)41(38,39)28-10-8-23(31)9-11-28/h8-11,17-19,21,26-27,29H,2-7,12-16,20H2,1H3/t21?,26?,27-,29+/m1/s1
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Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid-beta peptid aggregation

Bioorg Med Chem Lett 17: 57-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.094
BindingDB Entry DOI: 10.7270/Q2ZP48WP
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50476443
PNG
(CHEMBL392993)
Show SMILES [H][C@]1(CCC[C@H](COC(=O)N2CCC(CC2)N2CCCCC2)N1S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1F
Show InChI InChI=1S/C29H37ClFN3O4S/c30-22-11-13-25(14-12-22)39(36,37)34-24(7-6-10-28(34)26-8-2-3-9-27(26)31)21-38-29(35)33-19-15-23(16-20-33)32-17-4-1-5-18-32/h2-3,8-9,11-14,23-24,28H,1,4-7,10,15-21H2/t24-,28+/m1/s1
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Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid-beta peptid aggregation

Bioorg Med Chem Lett 17: 57-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.094
BindingDB Entry DOI: 10.7270/Q2ZP48WP
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50476456
PNG
(CHEMBL233928)
Show SMILES [H][C@]1(CCC[C@H](COC(=O)N2CCC(CC2)N2CCCCC2)N1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C29H36ClF2N3O4S/c30-22-8-10-25(11-9-22)40(37,38)35-24(5-4-6-28(35)21-7-12-26(31)27(32)19-21)20-39-29(36)34-17-13-23(14-18-34)33-15-2-1-3-16-33/h7-12,19,23-24,28H,1-6,13-18,20H2/t24-,28+/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid-beta peptid aggregation

Bioorg Med Chem Lett 17: 57-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.094
BindingDB Entry DOI: 10.7270/Q2ZP48WP
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50476452
PNG
(CHEMBL391522)
Show SMILES [H][C@]1(CCC[C@H](COC(=O)N2CCC(CC2)N2CCCCC2)N1S(=O)(=O)c1ccc(Cl)cc1)c1cc(F)ccc1F
Show InChI InChI=1S/C29H36ClF2N3O4S/c30-21-7-10-25(11-8-21)40(37,38)35-24(5-4-6-28(35)26-19-22(31)9-12-27(26)32)20-39-29(36)34-17-13-23(14-18-34)33-15-2-1-3-16-33/h7-12,19,23-24,28H,1-6,13-18,20H2/t24-,28+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid-beta peptid aggregation

Bioorg Med Chem Lett 17: 57-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.094
BindingDB Entry DOI: 10.7270/Q2ZP48WP
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))		BDBM50039514
PNG
((S)-2-((S)-2-Mercaptomethyl-3-phenyl-propionylamin...)
Show SMILES Cc1ccc(CSC[C@@H](NC(=O)[C@@H](CS)Cc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C21H25NO3S2/c1-15-7-9-17(10-8-15)13-27-14-19(21(24)25)22-20(23)18(12-26)11-16-5-3-2-4-6-16/h2-10,18-19,26H,11-14H2,1H3,(H,22,23)(H,24,25)/t18-,19-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against neutral endopeptidase (NEP)

J Med Chem 37: 2461-76 (1994)


BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))		BDBM50016767
PNG
(2-[1-(2-Carboxy-2-hydroxy-ethylcarbamoyl)-2-phenyl...)
Show SMILES O[C@@H](CNC(=O)[C@H](Cc1ccccc1)N[C@@H](CCc1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C22H26N2O6/c25-19(22(29)30)14-23-20(26)18(13-16-9-5-2-6-10-16)24-17(21(27)28)12-11-15-7-3-1-4-8-15/h1-10,17-19,24-25H,11-14H2,(H,23,26)(H,27,28)(H,29,30)/t17-,18-,19-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Schering-Plough Research

Curated by ChEMBL


Assay Description
Compound was evaluated for the ability to inhibit Angiotensin I converting enzyme in rat

J Med Chem 32: 737-9 (1989)


BindingDB Entry DOI: 10.7270/Q2BV7FMF
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))		BDBM50016767
PNG
(2-[1-(2-Carboxy-2-hydroxy-ethylcarbamoyl)-2-phenyl...)
Show SMILES O[C@@H](CNC(=O)[C@H](Cc1ccccc1)N[C@@H](CCc1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C22H26N2O6/c25-19(22(29)30)14-23-20(26)18(13-16-9-5-2-6-10-16)24-17(21(27)28)12-11-15-7-3-1-4-8-15/h1-10,17-19,24-25H,11-14H2,(H,23,26)(H,27,28)(H,29,30)/t17-,18-,19-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Schering-Plough Research

Curated by ChEMBL


Assay Description
Compound was evaluated for the ability to inhibit neutral endopeptidase purified from rabbit kidney

J Med Chem 32: 737-9 (1989)


BindingDB Entry DOI: 10.7270/Q2BV7FMF
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))		BDBM50016766
PNG
(2-[1-(2-Carboxy-2-hydroxy-ethylcarbamoyl)-2-phenyl...)
Show SMILES O[C@@H](CNC(=O)[C@H](Cc1ccccc1)N[C@@H](Cc1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C21H24N2O6/c24-18(21(28)29)13-22-19(25)16(11-14-7-3-1-4-8-14)23-17(20(26)27)12-15-9-5-2-6-10-15/h1-10,16-18,23-24H,11-13H2,(H,22,25)(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Schering-Plough Research

Curated by ChEMBL


Assay Description
Compound was evaluated for the ability to inhibit neutral endopeptidase purified from rabbit kidney

J Med Chem 32: 737-9 (1989)


BindingDB Entry DOI: 10.7270/Q2BV7FMF
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50476438
PNG
(CHEMBL233298)
Show SMILES [H][C@]1(CCC[C@H](COC(=O)N2CCC(CC2)N2CCCCC2)N1S(=O)(=O)c1ccc(Cl)cc1)c1cccc(F)c1 |r|
Show InChI InChI=1S/C29H37ClFN3O4S/c30-23-10-12-27(13-11-23)39(36,37)34-26(8-5-9-28(34)22-6-4-7-24(31)20-22)21-38-29(35)33-18-14-25(15-19-33)32-16-2-1-3-17-32/h4,6-7,10-13,20,25-26,28H,1-3,5,8-9,14-19,21H2/t26-,28+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid-beta peptid aggregation

Bioorg Med Chem Lett 17: 57-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.094
BindingDB Entry DOI: 10.7270/Q2ZP48WP
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50476449
PNG
(CHEMBL393414)
Show SMILES [H][C@]1(CCC[C@H](COC(=O)N2CCC(CC2C)N2CCCCC2)N1S(=O)(=O)c1ccc(Cl)cc1)c1cccc(F)c1
Show InChI InChI=1S/C30H39ClFN3O4S/c1-22-19-26(33-16-3-2-4-17-33)15-18-34(22)30(36)39-21-27-9-6-10-29(23-7-5-8-25(32)20-23)35(27)40(37,38)28-13-11-24(31)12-14-28/h5,7-8,11-14,20,22,26-27,29H,2-4,6,9-10,15-19,21H2,1H3/t22?,26?,27-,29+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid-beta peptid aggregation

Bioorg Med Chem Lett 17: 57-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.094
BindingDB Entry DOI: 10.7270/Q2ZP48WP
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))		BDBM50039524
PNG
((S)-3-Benzylsulfanyl-2-((S)-2-mercaptomethyl-3-phe...)
Show SMILES OC(=O)[C@@H](CSCc1ccccc1)NC(=O)[C@@H](CS)Cc1ccccc1
Show InChI InChI=1S/C20H23NO3S2/c22-19(17(12-25)11-15-7-3-1-4-8-15)21-18(20(23)24)14-26-13-16-9-5-2-6-10-16/h1-10,17-18,25H,11-14H2,(H,21,22)(H,23,24)/t17-,18-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against neutral endopeptidase (NEP)

J Med Chem 37: 2461-76 (1994)


BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))		BDBM50016769
PNG
(2-[1-(2-Carboxy-ethylcarbamoyl)-2-phenyl-ethylamin...)
Show SMILES OC(=O)CCNC(=O)[C@H](Cc1ccccc1)N[C@@H](CCc1ccccc1)C(O)=O
Show InChI InChI=1S/C22H26N2O5/c25-20(26)13-14-23-21(27)19(15-17-9-5-2-6-10-17)24-18(22(28)29)12-11-16-7-3-1-4-8-16/h1-10,18-19,24H,11-15H2,(H,23,27)(H,25,26)(H,28,29)/t18-,19-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Schering-Plough Research

Curated by ChEMBL


Assay Description
Compound was evaluated for the ability to inhibit neutral endopeptidase purified from rabbit kidney

J Med Chem 32: 737-9 (1989)


BindingDB Entry DOI: 10.7270/Q2BV7FMF
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50196898
PNG
(((2R,6S)-1-(4-chlorophenylsulfonyl)-6-phenylpiperi...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1[C@@H](COC(=O)N2CCC(CC2)N2CCCCC2)CCC[C@H]1c1ccccc1
Show InChI InChI=1S/C29H38ClN3O4S/c30-24-12-14-27(15-13-24)38(35,36)33-26(10-7-11-28(33)23-8-3-1-4-9-23)22-37-29(34)32-20-16-25(17-21-32)31-18-5-2-6-19-31/h1,3-4,8-9,12-15,25-26,28H,2,5-7,10-11,16-22H2/t26-,28+/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid-beta peptid aggregation

Bioorg Med Chem Lett 17: 57-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.094
BindingDB Entry DOI: 10.7270/Q2ZP48WP
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50476439
PNG
(CHEMBL232887)
Show SMILES [H][C@]1(CCC[C@H](COC(=O)N2CCN(CC2)C2CCCCC2)N1S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1F
Show InChI InChI=1S/C29H37ClFN3O4S/c30-22-13-15-25(16-14-22)39(36,37)34-24(9-6-12-28(34)26-10-4-5-11-27(26)31)21-38-29(35)33-19-17-32(18-20-33)23-7-2-1-3-8-23/h4-5,10-11,13-16,23-24,28H,1-3,6-9,12,17-21H2/t24-,28+/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid-beta peptid aggregation

Bioorg Med Chem Lett 17: 57-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.094
BindingDB Entry DOI: 10.7270/Q2ZP48WP
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))		BDBM50322940
PNG
(2-(3,4-difluorophenyl)-1-oxo-3-(pyridin-2-yl)-N-(3...)
Show SMILES Fc1ccc(cc1F)N1C(c2ccccn2)C2(CCN(CC2)C(=O)Nc2cccc(c2)C(F)(F)F)C1=O
Show InChI InChI=1S/C26H21F5N4O2/c27-19-8-7-18(15-20(19)28)35-22(21-6-1-2-11-32-21)25(23(35)36)9-12-34(13-10-25)24(37)33-17-5-3-4-16(14-17)26(29,30)31/h1-8,11,14-15,22H,9-10,12-13H2,(H,33,37)
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n/an/a 17n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human CaV3.2 expressed in HEK293 cells at -100 mV membrane potential by Ionworks HT assay

Bioorg Med Chem Lett 20: 4602-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.012
BindingDB Entry DOI: 10.7270/Q2NS0V34
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))		BDBM50039500
PNG
((S)-2-((R)-2-Mercaptomethyl-3-phenyl-propionylamin...)
Show SMILES COc1ccc(CSC[C@@H](NC(=O)[C@H](CS)Cc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C21H25NO4S2/c1-26-18-9-7-16(8-10-18)13-28-14-19(21(24)25)22-20(23)17(12-27)11-15-5-3-2-4-6-15/h2-10,17,19,27H,11-14H2,1H3,(H,22,23)(H,24,25)/t17-,19+/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Ttested for its inhibitory activity against neutral endopeptidase (NEP)

J Med Chem 37: 2461-76 (1994)


BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))		BDBM50322940
PNG
(2-(3,4-difluorophenyl)-1-oxo-3-(pyridin-2-yl)-N-(3...)
Show SMILES Fc1ccc(cc1F)N1C(c2ccccn2)C2(CCN(CC2)C(=O)Nc2cccc(c2)C(F)(F)F)C1=O
Show InChI InChI=1S/C26H21F5N4O2/c27-19-8-7-18(15-20(19)28)35-22(21-6-1-2-11-32-21)25(23(35)36)9-12-34(13-10-25)24(37)33-17-5-3-4-16(14-17)26(29,30)31/h1-8,11,14-15,22H,9-10,12-13H2,(H,33,37)
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n/an/a 17n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human CaV3.2 expressed in HEK293 cells at -100 mV membrane potential by Ionworks HT assay

Bioorg Med Chem Lett 20: 4602-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.012
BindingDB Entry DOI: 10.7270/Q2NS0V34
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))		BDBM50322943
PNG
(2-(3-chlorophenyl)-N-(3,5-difluorophenyl)-1-oxo-3-...)
Show SMILES Fc1cc(F)cc(NC(=O)N2CCC3(CC2)C(N(C3=O)c2cccc(Cl)c2)c2ccccn2)c1
Show InChI InChI=1S/C25H21ClF2N4O2/c26-16-4-3-5-20(12-16)32-22(21-6-1-2-9-29-21)25(23(32)33)7-10-31(11-8-25)24(34)30-19-14-17(27)13-18(28)15-19/h1-6,9,12-15,22H,7-8,10-11H2,(H,30,34)
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human CaV3.2 expressed in HEK293 cells at -100 mV membrane potential by Ionworks HT assay

Bioorg Med Chem Lett 20: 4602-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.012
BindingDB Entry DOI: 10.7270/Q2NS0V34
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))		BDBM50322943
PNG
(2-(3-chlorophenyl)-N-(3,5-difluorophenyl)-1-oxo-3-...)
Show SMILES Fc1cc(F)cc(NC(=O)N2CCC3(CC2)C(N(C3=O)c2cccc(Cl)c2)c2ccccn2)c1
Show InChI InChI=1S/C25H21ClF2N4O2/c26-16-4-3-5-20(12-16)32-22(21-6-1-2-9-29-21)25(23(32)33)7-10-31(11-8-25)24(34)30-19-14-17(27)13-18(28)15-19/h1-6,9,12-15,22H,7-8,10-11H2,(H,30,34)
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human CaV3.2 expressed in HEK293 cells at -100 mV membrane potential by Ionworks HT assay

Bioorg Med Chem Lett 20: 4602-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.012
BindingDB Entry DOI: 10.7270/Q2NS0V34
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))		BDBM50039540
PNG
((R)-3-Benzylsulfanyl-2-((S)-2-mercaptomethyl-3-phe...)
Show SMILES OC(=O)[C@H](CSCc1ccccc1)NC(=O)[C@@H](CS)Cc1ccccc1
Show InChI InChI=1S/C20H23NO3S2/c22-19(17(12-25)11-15-7-3-1-4-8-15)21-18(20(23)24)14-26-13-16-9-5-2-6-10-16/h1-10,17-18,25H,11-14H2,(H,21,22)(H,23,24)/t17-,18+/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against neutral endopeptidase (NEP)

J Med Chem 37: 2461-76 (1994)


BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50039514
PNG
((S)-2-((S)-2-Mercaptomethyl-3-phenyl-propionylamin...)
Show SMILES Cc1ccc(CSC[C@@H](NC(=O)[C@@H](CS)Cc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C21H25NO3S2/c1-15-7-9-17(10-8-15)13-27-14-19(21(24)25)22-20(23)18(12-26)11-16-5-3-2-4-6-16/h2-10,18-19,26H,11-14H2,1H3,(H,22,23)(H,24,25)/t18-,19-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for its inhibitory activity against angiotensin converting enzyme

J Med Chem 37: 2461-76 (1994)


BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))		BDBM50016765
PNG
(2-[1-(2-Carboxy-ethylcarbamoyl)-2-phenyl-ethylamin...)
Show SMILES OC(=O)CCNC(=O)[C@H](Cc1ccccc1)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C21H24N2O5/c24-19(25)11-12-22-20(26)17(13-15-7-3-1-4-8-15)23-18(21(27)28)14-16-9-5-2-6-10-16/h1-10,17-18,23H,11-14H2,(H,22,26)(H,24,25)(H,27,28)/t17-,18-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Schering-Plough Research

Curated by ChEMBL


Assay Description
Compound was evaluated for the ability to inhibit neutral endopeptidase purified from rabbit kidney

J Med Chem 32: 737-9 (1989)


BindingDB Entry DOI: 10.7270/Q2BV7FMF
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))		BDBM50039531
PNG
((S)-2-((R)-2-Mercaptomethyl-3-phenyl-propionylamin...)
Show SMILES Cc1ccc(CSC[C@@H](NC(=O)[C@H](CS)Cc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C21H25NO3S2/c1-15-7-9-17(10-8-15)13-27-14-19(21(24)25)22-20(23)18(12-26)11-16-5-3-2-4-6-16/h2-10,18-19,26H,11-14H2,1H3,(H,22,23)(H,24,25)/t18-,19+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against neutral endopeptidase (NEP)

J Med Chem 37: 2461-76 (1994)


BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))		BDBM50016768
PNG
(2-[1-(2-Carboxy-2-hydroxy-ethylcarbamoyl)-2-phenyl...)
Show SMILES O[C@H](CNC(=O)[C@H](Cc1ccccc1)N[C@@H](CCc1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C22H26N2O6/c25-19(22(29)30)14-23-20(26)18(13-16-9-5-2-6-10-16)24-17(21(27)28)12-11-15-7-3-1-4-8-15/h1-10,17-19,24-25H,11-14H2,(H,23,26)(H,27,28)(H,29,30)/t17-,18-,19+/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Schering-Plough Research

Curated by ChEMBL


Assay Description
Compound was evaluated for the ability to inhibit neutral endopeptidase purified from rabbit kidney

J Med Chem 32: 737-9 (1989)


BindingDB Entry DOI: 10.7270/Q2BV7FMF
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50476440
PNG
(CHEMBL233097)
Show SMILES [H][C@]1(CCC[C@H](COC(=O)N2CCN(CC3CC3)CC2C)N1S(=O)(=O)c1ccc(Cl)cc1)c1cccc(F)c1
Show InChI InChI=1S/C28H35ClFN3O4S/c1-20-17-31(18-21-8-9-21)14-15-32(20)28(34)37-19-25-6-3-7-27(22-4-2-5-24(30)16-22)33(25)38(35,36)26-12-10-23(29)11-13-26/h2,4-5,10-13,16,20-21,25,27H,3,6-9,14-15,17-19H2,1H3/t20?,25-,27+/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid-beta peptid aggregation

Bioorg Med Chem Lett 17: 57-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.094
BindingDB Entry DOI: 10.7270/Q2ZP48WP
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50476444
PNG
(CHEMBL392587)
Show SMILES [H][C@]1(CCC[C@H](COC(=O)N2CCN(CC2)C2CCCCC2)N1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C29H36ClF2N3O4S/c30-22-10-12-25(13-11-22)40(37,38)35-24(7-4-8-28(35)21-9-14-26(31)27(32)19-21)20-39-29(36)34-17-15-33(16-18-34)23-5-2-1-3-6-23/h9-14,19,23-24,28H,1-8,15-18,20H2/t24-,28+/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid-beta peptid aggregation

Bioorg Med Chem Lett 17: 57-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.094
BindingDB Entry DOI: 10.7270/Q2ZP48WP
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50476454
PNG
(CHEMBL233505)
Show SMILES [H][C@]1(CCC[C@H](COC(=O)N2CCN(CC2)C2CCCCC2)N1S(=O)(=O)c1ccc(Cl)cc1)c1cc(F)ccc1F
Show InChI InChI=1S/C29H36ClF2N3O4S/c30-21-9-12-25(13-10-21)40(37,38)35-24(7-4-8-28(35)26-19-22(31)11-14-27(26)32)20-39-29(36)34-17-15-33(16-18-34)23-5-2-1-3-6-23/h9-14,19,23-24,28H,1-8,15-18,20H2/t24-,28+/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid-beta peptid aggregation

Bioorg Med Chem Lett 17: 57-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.094
BindingDB Entry DOI: 10.7270/Q2ZP48WP
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)		BDBM50039530
PNG
((S)-3-Ethylsulfanyl-2-((S)-2-mercaptomethyl-3-phen...)
Show SMILES CCSC[C@@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C15H21NO3S2/c1-2-21-10-13(15(18)19)16-14(17)12(9-20)8-11-6-4-3-5-7-11/h3-7,12-13,20H,2,8-10H2,1H3,(H,16,17)(H,18,19)/t12-,13-/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for its inhibitory activity against angiotensin converting enzyme

J Med Chem 37: 2461-76 (1994)


BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))		BDBM50322950
PNG
(2-(3-chloro-4-fluorophenyl)-7-(5-fluoro-6-(trifluo...)
Show SMILES Fc1ccc(cc1Cl)N1C(c2ccccn2)C2(CCN(CC2)c2nc3cc(c(F)cc3[nH]2)C(F)(F)F)C1=O
Show InChI InChI=1S/C26H19ClF5N5O/c27-16-11-14(4-5-17(16)28)37-22(19-3-1-2-8-33-19)25(23(37)38)6-9-36(10-7-25)24-34-20-12-15(26(30,31)32)18(29)13-21(20)35-24/h1-5,8,11-13,22H,6-7,9-10H2,(H,34,35)
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n/an/a 29n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human CaV3.2 expressed in HEK293 cells at -100 mV membrane potential by Ionworks HT assay

Bioorg Med Chem Lett 20: 4602-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.012
BindingDB Entry DOI: 10.7270/Q2NS0V34
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))		BDBM50322950
PNG
(2-(3-chloro-4-fluorophenyl)-7-(5-fluoro-6-(trifluo...)
Show SMILES Fc1ccc(cc1Cl)N1C(c2ccccn2)C2(CCN(CC2)c2nc3cc(c(F)cc3[nH]2)C(F)(F)F)C1=O
Show InChI InChI=1S/C26H19ClF5N5O/c27-16-11-14(4-5-17(16)28)37-22(19-3-1-2-8-33-19)25(23(37)38)6-9-36(10-7-25)24-34-20-12-15(26(30,31)32)18(29)13-21(20)35-24/h1-5,8,11-13,22H,6-7,9-10H2,(H,34,35)
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n/an/a 31n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human CaV3.2 expressed in HEK293 cells at -100 mV membrane potential by Ionworks HT assay

Bioorg Med Chem Lett 20: 4602-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.012
BindingDB Entry DOI: 10.7270/Q2NS0V34
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))		BDBM50039525
PNG
((R)-4-Ethylsulfanyl-2-((R)-2-mercaptomethyl-3-phen...)
Show SMILES CCSCC[C@@H](NC(=O)[C@H](CS)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H23NO3S2/c1-2-22-9-8-14(16(19)20)17-15(18)13(11-21)10-12-6-4-3-5-7-12/h3-7,13-14,21H,2,8-11H2,1H3,(H,17,18)(H,19,20)/t13-,14+/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against neutral endopeptidase (NEP)

J Med Chem 37: 2461-76 (1994)


BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))		BDBM50039510
PNG
((S)-3-Benzylsulfanyl-2-((R)-2-mercaptomethyl-3-phe...)
Show SMILES OC(=O)[C@@H](CSCc1ccccc1)NC(=O)[C@H](CS)Cc1ccccc1
Show InChI InChI=1S/C20H23NO3S2/c22-19(17(12-25)11-15-7-3-1-4-8-15)21-18(20(23)24)14-26-13-16-9-5-2-6-10-16/h1-10,17-18,25H,11-14H2,(H,21,22)(H,23,24)/t17-,18+/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against neutral endopeptidase (NEP)

J Med Chem 37: 2461-76 (1994)


BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Presenilin-1


(Homo sapiens (Human))		BDBM50476447
PNG
(CHEMBL232495)
Show SMILES CC[C@@H]1CCC[C@H](COC(=O)N2CCC(CC2)N2CCCCC2)N1S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H38ClN3O4S/c1-2-21-7-6-8-23(29(21)34(31,32)24-11-9-20(26)10-12-24)19-33-25(30)28-17-13-22(14-18-28)27-15-4-3-5-16-27/h9-12,21-23H,2-8,13-19H2,1H3/t21-,23-/m1/s1
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n/an/a 34n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of gamma secretase-mediated amyloid-beta peptid aggregation

Bioorg Med Chem Lett 17: 57-62 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.094
BindingDB Entry DOI: 10.7270/Q2ZP48WP
More data for this
Ligand-Target Pair
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