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Compile Data Set for Download or QSAR

Found 96 hits with Last Name = 'morren' and Initial = 'd'   
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))
BDBM50190746
PNG
((R)-2-((1-((5-ethyl-1,3,4-thiadiazol-2-yl)carbamoy...)
Show SMILES CCC[C@H](CC1(CCCC1)C(=O)Nc1nnc(CC)s1)C(O)=O
Show InChI InChI=1S/C16H25N3O3S/c1-3-7-11(13(20)21)10-16(8-5-6-9-16)14(22)17-15-19-18-12(4-2)23-15/h11H,3-10H2,1-2H3,(H,20,21)(H,17,19,22)/t11-/m1/s1
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n/an/a 10.2n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rabbit NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50190771
PNG
((R)-2-((1-((2-(hydroxymethyl)-2,3-dihydro-1H-inden...)
Show SMILES CCC[C@H](CC1(CCCC1)C(=O)NC1(CO)Cc2ccccc2C1)C(O)=O
Show InChI InChI=1S/C22H31NO4/c1-2-7-18(19(25)26)12-21(10-5-6-11-21)20(27)23-22(15-24)13-16-8-3-4-9-17(16)14-22/h3-4,8-9,18,24H,2,5-7,10-15H2,1H3,(H,23,27)(H,25,26)/t18-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))
BDBM50190746
PNG
((R)-2-((1-((5-ethyl-1,3,4-thiadiazol-2-yl)carbamoy...)
Show SMILES CCC[C@H](CC1(CCCC1)C(=O)Nc1nnc(CC)s1)C(O)=O
Show InChI InChI=1S/C16H25N3O3S/c1-3-7-11(13(20)21)10-16(8-5-6-9-16)14(22)17-15-19-18-12(4-2)23-15/h11H,3-10H2,1-2H3,(H,20,21)(H,17,19,22)/t11-/m1/s1
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n/an/a 14.3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50190746
PNG
((R)-2-((1-((5-ethyl-1,3,4-thiadiazol-2-yl)carbamoy...)
Show SMILES CCC[C@H](CC1(CCCC1)C(=O)Nc1nnc(CC)s1)C(O)=O
Show InChI InChI=1S/C16H25N3O3S/c1-3-7-11(13(20)21)10-16(8-5-6-9-16)14(22)17-15-19-18-12(4-2)23-15/h11H,3-10H2,1-2H3,(H,20,21)(H,17,19,22)/t11-/m1/s1
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n/an/a 18.9n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50190746
PNG
((R)-2-((1-((5-ethyl-1,3,4-thiadiazol-2-yl)carbamoy...)
Show SMILES CCC[C@H](CC1(CCCC1)C(=O)Nc1nnc(CC)s1)C(O)=O
Show InChI InChI=1S/C16H25N3O3S/c1-3-7-11(13(20)21)10-16(8-5-6-9-16)14(22)17-15-19-18-12(4-2)23-15/h11H,3-10H2,1-2H3,(H,20,21)(H,17,19,22)/t11-/m1/s1
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n/an/a 19.7n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50190746
PNG
((R)-2-((1-((5-ethyl-1,3,4-thiadiazol-2-yl)carbamoy...)
Show SMILES CCC[C@H](CC1(CCCC1)C(=O)Nc1nnc(CC)s1)C(O)=O
Show InChI InChI=1S/C16H25N3O3S/c1-3-7-11(13(20)21)10-16(8-5-6-9-16)14(22)17-15-19-18-12(4-2)23-15/h11H,3-10H2,1-2H3,(H,20,21)(H,17,19,22)/t11-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50190753
PNG
(2-((1-((5-benzyl-1,3,4-thiadiazol-2-yl)carbamoyl)c...)
Show SMILES CCCC(CC1(CCCC1)C(=O)Nc1nnc(Cc2ccccc2)s1)C(O)=O
Show InChI InChI=1S/C21H27N3O3S/c1-2-8-16(18(25)26)14-21(11-6-7-12-21)19(27)22-20-24-23-17(28-20)13-15-9-4-3-5-10-15/h3-5,9-10,16H,2,6-8,11-14H2,1H3,(H,25,26)(H,22,24,27)
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n/an/a 30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50190762
PNG
(2-((1-((5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-y...)
Show SMILES CCCC(CC1(CCCC1)C(=O)Nc1nnc(CC2CC2)s1)C(O)=O
Show InChI InChI=1S/C18H27N3O3S/c1-2-5-13(15(22)23)11-18(8-3-4-9-18)16(24)19-17-21-20-14(25-17)10-12-6-7-12/h12-13H,2-11H2,1H3,(H,22,23)(H,19,21,24)
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n/an/a 38n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50190737
PNG
(2-((1-((5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl)cy...)
Show SMILES CCc1nnc(NC(=O)C2(CC(CCc3ccccc3)C(O)=O)CCCC2)s1
Show InChI InChI=1S/C21H27N3O3S/c1-2-17-23-24-20(28-17)22-19(27)21(12-6-7-13-21)14-16(18(25)26)11-10-15-8-4-3-5-9-15/h3-5,8-9,16H,2,6-7,10-14H2,1H3,(H,25,26)(H,22,24,27)
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n/an/a 46n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50190773
PNG
(2-[1-(5-ethyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-cyc...)
Show SMILES CCCC(CC1(CCCC1)C(=O)Nc1nnc(CC)s1)C(O)=O
Show InChI InChI=1S/C16H25N3O3S/c1-3-7-11(13(20)21)10-16(8-5-6-9-16)14(22)17-15-19-18-12(4-2)23-15/h11H,3-10H2,1-2H3,(H,20,21)(H,17,19,22)
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n/an/a 60n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50190752
PNG
(2-((1-((1-ethyl-1H-1,2,3-triazol-4-yl)carbamoyl)cy...)
Show SMILES CCCC(CC1(CCCC1)C(=O)Nc1cn(CC)nn1)C(O)=O
Show InChI InChI=1S/C16H26N4O3/c1-3-7-12(14(21)22)10-16(8-5-6-9-16)15(23)17-13-11-20(4-2)19-18-13/h11-12H,3-10H2,1-2H3,(H,17,23)(H,21,22)
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n/an/a 82n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50190764
PNG
(2-((1-((5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl)cy...)
Show SMILES CCCCC(CC1(CCCC1)C(=O)Nc1nnc(CC)s1)C(O)=O
Show InChI InChI=1S/C17H27N3O3S/c1-3-5-8-12(14(21)22)11-17(9-6-7-10-17)15(23)18-16-20-19-13(4-2)24-16/h12H,3-11H2,1-2H3,(H,21,22)(H,18,20,23)
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n/an/a 84n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50190750
PNG
(2-((1-((4-benzylpyridin-2-yl)carbamoyl)cyclopentyl...)
Show SMILES CCCC(CC1(CCCC1)C(=O)Nc1cc(Cc2ccccc2)ccn1)C(O)=O
Show InChI InChI=1S/C24H30N2O3/c1-2-8-20(22(27)28)17-24(12-6-7-13-24)23(29)26-21-16-19(11-14-25-21)15-18-9-4-3-5-10-18/h3-5,9-11,14,16,20H,2,6-8,12-13,15,17H2,1H3,(H,27,28)(H,25,26,29)
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n/an/a 96n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50190769
PNG
(CHEMBL377037 | rac-2-((1-((2-(hydroxymethyl)-2,3-d...)
Show SMILES CCCC(CC1(CCCC1)C(=O)NC1(CO)Cc2ccccc2C1)C(O)=O
Show InChI InChI=1S/C22H31NO4/c1-2-7-18(19(25)26)12-21(10-5-6-11-21)20(27)23-22(15-24)13-16-8-3-4-9-17(16)14-22/h3-4,8-9,18,24H,2,5-7,10-15H2,1H3,(H,23,27)(H,25,26)
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n/an/a 96n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50190739
PNG
((R)-2-((1-((5-methyl-1,3,4-thiadiazol-2-yl)carbamo...)
Show SMILES CCC[C@H](CC1(CCCC1)C(=O)Nc1nnc(C)s1)C(O)=O
Show InChI InChI=1S/C15H23N3O3S/c1-3-6-11(12(19)20)9-15(7-4-5-8-15)13(21)16-14-18-17-10(2)22-14/h11H,3-9H2,1-2H3,(H,19,20)(H,16,18,21)/t11-/m1/s1
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n/an/a 114n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50190738
PNG
(2-((1-((5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl)cy...)
Show SMILES CCc1nnc(NC(=O)C2(CC(CCC(C)C)C(O)=O)CCCC2)s1
Show InChI InChI=1S/C18H29N3O3S/c1-4-14-20-21-17(25-14)19-16(24)18(9-5-6-10-18)11-13(15(22)23)8-7-12(2)3/h12-13H,4-11H2,1-3H3,(H,22,23)(H,19,21,24)
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n/an/a 120n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50190758
PNG
(2-((1-((5-isobutyl-1,3,4-thiadiazol-2-yl)carbamoyl...)
Show SMILES CCCC(CC1(CCCC1)C(=O)Nc1nnc(CC(C)C)s1)C(O)=O
Show InChI InChI=1S/C18H29N3O3S/c1-4-7-13(15(22)23)11-18(8-5-6-9-18)16(24)19-17-21-20-14(25-17)10-12(2)3/h12-13H,4-11H2,1-3H3,(H,22,23)(H,19,21,24)
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n/an/a 124n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50190757
PNG
(CHEMBL439508 | cis-2-((1-((4-carbamoylcyclohexyl)c...)
Show SMILES CCCC(CC1(CCCC1)C(=O)N[C@H]1CC[C@H](CC1)C(N)=O)C(O)=O |wU:13.13,16.20,(-5.69,-23.39,;-5.69,-24.93,;-4.36,-25.7,;-4.36,-27.24,;-3.03,-28.01,;-1.69,-27.24,;-2.94,-26.34,;-2.46,-24.87,;-.92,-24.87,;-.45,-26.34,;-.36,-28.01,;-.36,-29.55,;.97,-27.24,;2.31,-28.01,;3.63,-27.24,;4.97,-28.02,;4.96,-29.56,;3.62,-30.32,;2.3,-29.55,;6.29,-30.33,;7.63,-29.57,;6.29,-31.87,;-5.69,-28.01,;-7.03,-27.24,;-5.69,-29.55,)|
Show InChI InChI=1S/C19H32N2O4/c1-2-5-14(17(23)24)12-19(10-3-4-11-19)18(25)21-15-8-6-13(7-9-15)16(20)22/h13-15H,2-12H2,1H3,(H2,20,22)(H,21,25)(H,23,24)/t13-,14?,15+
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n/an/a 150n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50190761
PNG
(CHEMBL209493 | rac-2-((1-((5-methyl-1,3,4-thiadiaz...)
Show SMILES CCCC(CC1(CCCC1)C(=O)Nc1nnc(C)s1)C(O)=O
Show InChI InChI=1S/C15H23N3O3S/c1-3-6-11(12(19)20)9-15(7-4-5-8-15)13(21)16-14-18-17-10(2)22-14/h11H,3-9H2,1-2H3,(H,19,20)(H,16,18,21)
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n/an/a 176n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50190780
PNG
(2-((1-((4-butylpyridin-2-yl)carbamoyl)cyclopentyl)...)
Show SMILES CCCCc1ccnc(NC(=O)C2(CC(CCC)C(O)=O)CCCC2)c1
Show InChI InChI=1S/C21H32N2O3/c1-3-5-9-16-10-13-22-18(14-16)23-20(26)21(11-6-7-12-21)15-17(8-4-2)19(24)25/h10,13-14,17H,3-9,11-12,15H2,1-2H3,(H,24,25)(H,22,23,26)
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n/an/a 184n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50190777
PNG
(2-((1-(((1R,2R)-2-benzylcyclohexyl)carbamoyl)cyclo...)
Show SMILES CCCC(CC1(CCCC1)C(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C25H37NO3/c1-2-10-21(23(27)28)18-25(15-8-9-16-25)24(29)26-22-14-7-6-13-20(22)17-19-11-4-3-5-12-19/h3-5,11-12,20-22H,2,6-10,13-18H2,1H3,(H,26,29)(H,27,28)/t20-,21?,22-/m1/s1
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n/an/a 195n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50190743
PNG
((S)-2-((1-((2-(hydroxymethyl)-2,3-dihydro-1H-inden...)
Show SMILES CCC[C@@H](CC1(CCCC1)C(=O)NC1(CO)Cc2ccccc2C1)C(O)=O
Show InChI InChI=1S/C22H31NO4/c1-2-7-18(19(25)26)12-21(10-5-6-11-21)20(27)23-22(15-24)13-16-8-3-4-9-17(16)14-22/h3-4,8-9,18,24H,2,5-7,10-15H2,1H3,(H,23,27)(H,25,26)/t18-/m0/s1
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n/an/a 205n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50190782
PNG
(2-((1-(((1R,3S)-3-carbamoylcyclopentyl)carbamoyl)c...)
Show SMILES CCCC(CC1(CCCC1)C(=O)N[C@@H]1CC[C@@H](C1)C(N)=O)C(O)=O
Show InChI InChI=1S/C18H30N2O4/c1-2-5-13(16(22)23)11-18(8-3-4-9-18)17(24)20-14-7-6-12(10-14)15(19)21/h12-14H,2-11H2,1H3,(H2,19,21)(H,20,24)(H,22,23)/t12-,13?,14+/m0/s1
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n/an/a 213n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50190763
PNG
(3-(1-((5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl)cyc...)
Show SMILES CCc1nnc(NC(=O)C2(CCC(O)=O)CCCC2)s1
Show InChI InChI=1S/C13H19N3O3S/c1-2-9-15-16-12(20-9)14-11(19)13(6-3-4-7-13)8-5-10(17)18/h2-8H2,1H3,(H,17,18)(H,14,16,19)
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n/an/a 237n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50190775
PNG
(2-((1-((5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl)c...)
Show SMILES CCCC(CC1(CCCC1)C(=O)Nc1nnc(s1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C20H25N3O3S/c1-2-8-15(17(24)25)13-20(11-6-7-12-20)18(26)21-19-23-22-16(27-19)14-9-4-3-5-10-14/h3-5,9-10,15H,2,6-8,11-13H2,1H3,(H,24,25)(H,21,23,26)
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n/an/a 283n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50190742
PNG
((S)-2-((1-((5-methyl-1,3,4-thiadiazol-2-yl)carbamo...)
Show SMILES CCC[C@@H](CC1(CCCC1)C(=O)Nc1nnc(C)s1)C(O)=O
Show InChI InChI=1S/C15H23N3O3S/c1-3-6-11(12(19)20)9-15(7-4-5-8-15)13(21)16-14-18-17-10(2)22-14/h11H,3-9H2,1-2H3,(H,19,20)(H,16,18,21)/t11-/m0/s1
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n/an/a 286n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50190736
PNG
((S)-2-((1-((5-ethyl-1,3,4-thiadiazol-2-yl)carbamoy...)
Show SMILES CCC[C@@H](CC1(CCCC1)C(=O)Nc1nnc(CC)s1)C(O)=O
Show InChI InChI=1S/C16H25N3O3S/c1-3-7-11(13(20)21)10-16(8-5-6-9-16)14(22)17-15-19-18-12(4-2)23-15/h11H,3-10H2,1-2H3,(H,20,21)(H,17,19,22)/t11-/m0/s1
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n/an/a 292n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50190767
PNG
(2-((1-((3-(dimethylcarbamoyl)cyclohexyl)carbamoyl)...)
Show SMILES CCCC(CC1(CCCC1)C(=O)NC1CCCC(C1)C(=O)N(C)C)C(O)=O
Show InChI InChI=1S/C21H36N2O4/c1-4-8-16(19(25)26)14-21(11-5-6-12-21)20(27)22-17-10-7-9-15(13-17)18(24)23(2)3/h15-17H,4-14H2,1-3H3,(H,22,27)(H,25,26)
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n/an/a 297n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50190755
PNG
(2-((1-((2,3-dihydro-1H-inden-2-yl)carbamoyl)cyclop...)
Show SMILES CCCC(CC1(CCCC1)C(=O)NC1Cc2ccccc2C1)C(O)=O
Show InChI InChI=1S/C21H29NO3/c1-2-7-17(19(23)24)14-21(10-5-6-11-21)20(25)22-18-12-15-8-3-4-9-16(15)13-18/h3-4,8-9,17-18H,2,5-7,10-14H2,1H3,(H,22,25)(H,23,24)
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n/an/a 313n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50190760
PNG
(2-((1-((1-benzyl-6-oxo-1,6-dihydropyridin-3-yl)car...)
Show SMILES CCCC(CC1(CCCC1)C(=O)Nc1ccc(=O)n(Cc2ccccc2)c1)C(O)=O
Show InChI InChI=1S/C24H30N2O4/c1-2-8-19(22(28)29)15-24(13-6-7-14-24)23(30)25-20-11-12-21(27)26(17-20)16-18-9-4-3-5-10-18/h3-5,9-12,17,19H,2,6-8,13-16H2,1H3,(H,25,30)(H,28,29)
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n/an/a 313n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50190772
PNG
(CHEMBL213240 | cis-2-((1-((4-(dimethylcarbamoyl)cy...)
Show SMILES CCCC(CC1(CCCC1)C(=O)N[C@H]1CC[C@H](CC1)C(=O)N(C)C)C(O)=O |wU:13.13,16.20,(-6.79,-6.07,;-6.79,-7.61,;-5.46,-8.38,;-5.46,-9.92,;-4.12,-10.69,;-2.79,-9.92,;-4.04,-9.02,;-3.56,-7.55,;-2.02,-7.55,;-1.54,-9.02,;-1.46,-10.69,;-1.46,-12.23,;-.12,-9.92,;1.21,-10.69,;2.53,-9.92,;3.87,-10.7,;3.87,-12.24,;2.53,-13,;1.2,-12.23,;5.2,-13.02,;5.19,-14.56,;6.53,-12.25,;7.86,-13.03,;6.54,-10.71,;-6.79,-10.69,;-8.12,-9.92,;-6.79,-12.23,)|
Show InChI InChI=1S/C21H36N2O4/c1-4-7-16(19(25)26)14-21(12-5-6-13-21)20(27)22-17-10-8-15(9-11-17)18(24)23(2)3/h15-17H,4-14H2,1-3H3,(H,22,27)(H,25,26)/t15-,16?,17+
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n/an/a 370n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50190766
PNG
(2-((1-((6-methoxypyridazin-3-yl)carbamoyl)cyclopen...)
Show SMILES CCCC(CC1(CCCC1)C(=O)Nc1ccc(OC)nn1)C(O)=O
Show InChI InChI=1S/C17H25N3O4/c1-3-6-12(15(21)22)11-17(9-4-5-10-17)16(23)18-13-7-8-14(24-2)20-19-13/h7-8,12H,3-6,9-11H2,1-2H3,(H,21,22)(H,18,19,23)
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n/an/a 374n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50190774
PNG
(2-((1-((1,3,4-thiadiazol-2-yl)carbamoyl)cyclopenty...)
Show SMILES CCCC(CC1(CCCC1)C(=O)Nc1nncs1)C(O)=O
Show InChI InChI=1S/C14H21N3O3S/c1-2-5-10(11(18)19)8-14(6-3-4-7-14)12(20)16-13-17-15-9-21-13/h9-10H,2-8H2,1H3,(H,18,19)(H,16,17,20)
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n/an/a 377n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50190748
PNG
(2-((1-(((S)-1-hydroxy-3-phenylpropan-2-yl)carbamoy...)
Show SMILES CCCC(CC1(CCCC1)C(=O)N[C@H](CO)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C21H31NO4/c1-2-8-17(19(24)25)14-21(11-6-7-12-21)20(26)22-18(15-23)13-16-9-4-3-5-10-16/h3-5,9-10,17-18,23H,2,6-8,11-15H2,1H3,(H,22,26)(H,24,25)/t17?,18-/m0/s1
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n/an/a 384n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50190770
PNG
(2-((1-(((R)-1-phenylethyl)carbamoyl)cyclopentyl)me...)
Show SMILES CCCC(CC1(CCCC1)C(=O)N[C@H](C)c1ccccc1)C(O)=O
Show InChI InChI=1S/C20H29NO3/c1-3-9-17(18(22)23)14-20(12-7-8-13-20)19(24)21-15(2)16-10-5-4-6-11-16/h4-6,10-11,15,17H,3,7-9,12-14H2,1-2H3,(H,21,24)(H,22,23)/t15-,17?/m1/s1
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n/an/a 530n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50190740
PNG
(2-((1-(((5-methyl-1,3,4-thiadiazol-2-yl)methyl)car...)
Show SMILES CCCC(CC1(CCCC1)C(=O)NCc1nnc(C)s1)C(O)=O
Show InChI InChI=1S/C16H25N3O3S/c1-3-6-12(14(20)21)9-16(7-4-5-8-16)15(22)17-10-13-19-18-11(2)23-13/h12H,3-10H2,1-2H3,(H,17,22)(H,20,21)
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n/an/a 700n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50190781
PNG
(2-((1-(((1R,2S)-2-propylcyclohexyl)carbamoyl)cyclo...)
Show SMILES CCCC(CC1(CCCC1)C(=O)N[C@@H]1CCCC[C@@H]1CCC)C(O)=O
Show InChI InChI=1S/C21H37NO3/c1-3-9-16-11-5-6-12-18(16)22-20(25)21(13-7-8-14-21)15-17(10-4-2)19(23)24/h16-18H,3-15H2,1-2H3,(H,22,25)(H,23,24)/t16-,17?,18+/m0/s1
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n/an/a 890n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50190759
PNG
(2-((1-(((R)-1-benzylpyrrolidin-3-yl)carbamoyl)cycl...)
Show SMILES CCCC(CC1(CCCC1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)C(O)=O
Show InChI InChI=1S/C23H34N2O3/c1-2-8-19(21(26)27)15-23(12-6-7-13-23)22(28)24-20-11-14-25(17-20)16-18-9-4-3-5-10-18/h3-5,9-10,19-20H,2,6-8,11-17H2,1H3,(H,24,28)(H,26,27)/t19?,20-/m1/s1
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n/an/a 1.06E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50190779
PNG
(2-((1-(5-(1-benzyl-6-oxo-1,6-dihydropyridin-3-yl)-...)
Show SMILES CCCC(CC1(CCCC1)c1nnc(o1)-c1ccc(=O)n(Cc2ccccc2)c1)C(O)=O
Show InChI InChI=1S/C25H29N3O4/c1-2-8-19(23(30)31)15-25(13-6-7-14-25)24-27-26-22(32-24)20-11-12-21(29)28(17-20)16-18-9-4-3-5-10-18/h3-5,9-12,17,19H,2,6-8,13-16H2,1H3,(H,30,31)
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n/an/a 1.14E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50190741
PNG
(2-((1-(pyridin-2-ylcarbamoyl)cyclopentyl)methyl)pe...)
Show SMILES CCCC(CC1(CCCC1)C(=O)Nc1ccccn1)C(O)=O
Show InChI InChI=1S/C17H24N2O3/c1-2-7-13(15(20)21)12-17(9-4-5-10-17)16(22)19-14-8-3-6-11-18-14/h3,6,8,11,13H,2,4-5,7,9-10,12H2,1H3,(H,20,21)(H,18,19,22)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50190765
PNG
(2-((1-((benzo[d][1,3]dioxol-5-ylmethyl)carbamoyl)c...)
Show SMILES CCCC(CC1(CCCC1)C(=O)NCc1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C20H27NO5/c1-2-5-15(18(22)23)11-20(8-3-4-9-20)19(24)21-12-14-6-7-16-17(10-14)26-13-25-16/h6-7,10,15H,2-5,8-9,11-13H2,1H3,(H,21,24)(H,22,23)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50190754
PNG
(2-((1-((3-ethylpyridin-2-yl)carbamoyl)cyclopentyl)...)
Show SMILES CCCC(CC1(CCCC1)C(=O)Nc1ncccc1CC)C(O)=O
Show InChI InChI=1S/C19H28N2O3/c1-3-8-15(17(22)23)13-19(10-5-6-11-19)18(24)21-16-14(4-2)9-7-12-20-16/h7,9,12,15H,3-6,8,10-11,13H2,1-2H3,(H,22,23)(H,20,21,24)
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n/an/a 1.71E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50190749
PNG
(2-((1-((1-(hydroxymethyl)cyclopentyl)carbamoyl)cyc...)
Show SMILES CCCC(CC1(CCCC1)C(=O)NC1(CO)CCCC1)C(O)=O
Show InChI InChI=1S/C18H31NO4/c1-2-7-14(15(21)22)12-17(8-3-4-9-17)16(23)19-18(13-20)10-5-6-11-18/h14,20H,2-13H2,1H3,(H,19,23)(H,21,22)
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n/an/a 1.71E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50190778
PNG
(2-((1-((4-(propylamino)pyrimidin-2-yl)carbamoyl)cy...)
Show SMILES CCCNc1ccnc(NC(=O)C2(CC(CCC)C(O)=O)CCCC2)n1
Show InChI InChI=1S/C19H30N4O3/c1-3-7-14(16(24)25)13-19(9-5-6-10-19)17(26)23-18-21-12-8-15(22-18)20-11-4-2/h8,12,14H,3-7,9-11,13H2,1-2H3,(H,24,25)(H2,20,21,22,23,26)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50190747
PNG
(2-((1-((4-methylpyridin-2-yl)carbamoyl)cyclopentyl...)
Show SMILES CCCC(CC1(CCCC1)C(=O)Nc1cc(C)ccn1)C(O)=O
Show InChI InChI=1S/C18H26N2O3/c1-3-6-14(16(21)22)12-18(8-4-5-9-18)17(23)20-15-11-13(2)7-10-19-15/h7,10-11,14H,3-6,8-9,12H2,1-2H3,(H,21,22)(H,19,20,23)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50190756
PNG
(2-((1-((4-chlorophenethyl)carbamoyl)cyclopentyl)me...)
Show SMILES CCCC(CC1(CCCC1)C(=O)NCCc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C20H28ClNO3/c1-2-5-16(18(23)24)14-20(11-3-4-12-20)19(25)22-13-10-15-6-8-17(21)9-7-15/h6-9,16H,2-5,10-14H2,1H3,(H,22,25)(H,23,24)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50190768
PNG
(2-((1-((6-ethylpyridin-2-yl)carbamoyl)cyclopentyl)...)
Show SMILES CCCC(CC1(CCCC1)C(=O)Nc1cccc(CC)n1)C(O)=O
Show InChI InChI=1S/C19H28N2O3/c1-3-8-14(17(22)23)13-19(11-5-6-12-19)18(24)21-16-10-7-9-15(4-2)20-16/h7,9-10,14H,3-6,8,11-13H2,1-2H3,(H,22,23)(H,20,21,24)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog NEP


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50190739
PNG
((R)-2-((1-((5-methyl-1,3,4-thiadiazol-2-yl)carbamo...)
Show SMILES CCC[C@H](CC1(CCCC1)C(=O)Nc1nnc(C)s1)C(O)=O
Show InChI InChI=1S/C15H23N3O3S/c1-3-6-11(12(19)20)9-15(7-4-5-8-15)13(21)16-14-18-17-10(2)22-14/h11H,3-9H2,1-2H3,(H,19,20)(H,16,18,21)/t11-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog ACE


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50190740
PNG
(2-((1-(((5-methyl-1,3,4-thiadiazol-2-yl)methyl)car...)
Show SMILES CCCC(CC1(CCCC1)C(=O)NCc1nnc(C)s1)C(O)=O
Show InChI InChI=1S/C16H25N3O3S/c1-3-6-12(14(20)21)9-16(7-4-5-8-16)15(22)17-10-13-19-18-11(2)23-13/h12H,3-10H2,1-2H3,(H,17,22)(H,20,21)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog ACE


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50190741
PNG
(2-((1-(pyridin-2-ylcarbamoyl)cyclopentyl)methyl)pe...)
Show SMILES CCCC(CC1(CCCC1)C(=O)Nc1ccccn1)C(O)=O
Show InChI InChI=1S/C17H24N2O3/c1-2-7-13(15(20)21)12-17(9-4-5-10-17)16(22)19-14-8-3-6-11-18-14/h3,6,8,11,13H,2,4-5,7,9-10,12H2,1H3,(H,20,21)(H,18,19,22)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of dog ACE


J Med Chem 49: 4409-24 (2006)


Article DOI: 10.1021/jm060133g
BindingDB Entry DOI: 10.7270/Q2930SS8
More data for this
Ligand-Target Pair
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