BindingDB logo
myBDB logout

26 similar compounds to monomer 50039531

Compile data set for download or QSAR
Wt: 403.5
BDBM50039498
Wt: 419.5
BDBM50039499
Wt: 419.5
BDBM50039500
Wt: 403.5
BDBM50039502
Wt: 453.6
BDBM50039503
Wt: 327.4
BDBM50039504
Wt: 479.6
BDBM50039505
Wt: 355.5
BDBM50039506
Wt: 479.6
BDBM50039507
Wt: 423.9
BDBM50039508
Wt: 389.5
BDBM50039510
Wt: 453.6
BDBM50039512
Wt: 313.4
BDBM50039513
Wt: 403.5
BDBM50039514
Wt: 417.5
BDBM50039517
Displayed 1 to 15 (of 26 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 50039498,50039499,50039500,50039502,50039503,50039504,50039505,50039506,50039507,50039508,50039510,50039512,50039513,50039514,50039517   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


Article DOI: 10.1021/jm00041a026
BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50039512
PNG
((S)-2-((R)-2-Mercaptomethyl-3-naphthalen-2-yl-prop...)
Show SMILES Cc1ccc(CSC[C@@H](NC(=O)[C@H](CS)Cc2ccc3ccccc3c2)C(O)=O)cc1
Show InChI InChI=1S/C25H27NO3S2/c1-17-6-8-18(9-7-17)15-31-16-23(25(28)29)26-24(27)22(14-30)13-19-10-11-20-4-2-3-5-21(20)12-19/h2-12,22-23,30H,13-16H2,1H3,(H,26,27)(H,28,29)/t22-,23+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for its inhibitory activity against neutral endopeptidase (NEP)


J Med Chem 37: 2461-76 (1994)


Article DOI: 10.1021/jm00041a026
BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
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
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 45n/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)


Article DOI: 10.1021/jm00041a026
BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50039506
PNG
((S)-3-tert-Butylsulfanyl-2-((S)-2-mercaptomethyl-3...)
Show SMILES CC(C)(C)SC[C@@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C17H25NO3S2/c1-17(2,3)23-11-14(16(20)21)18-15(19)13(10-22)9-12-7-5-4-6-8-12/h4-8,13-14,22H,9-11H2,1-3H3,(H,18,19)(H,20,21)/t13-,14-/m1/s1
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 170n/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)


Article DOI: 10.1021/jm00041a026
BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
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
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 44n/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)


Article DOI: 10.1021/jm00041a026
BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
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
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 77n/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)


Article DOI: 10.1021/jm00041a026
BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50039503
PNG
((S)-2-((S)-2-Mercaptomethyl-3-naphthalen-2-yl-prop...)
Show SMILES Cc1ccc(CSC[C@@H](NC(=O)[C@@H](CS)Cc2ccc3ccccc3c2)C(O)=O)cc1
Show InChI InChI=1S/C25H27NO3S2/c1-17-6-8-18(9-7-17)15-31-16-23(25(28)29)26-24(27)22(14-30)13-19-10-11-20-4-2-3-5-21(20)12-19/h2-12,22-23,30H,13-16H2,1H3,(H,26,27)(H,28,29)/t22-,23-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>300n/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)


Article DOI: 10.1021/jm00041a026
BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50039507
PNG
((S)-2-((S)-3-Biphenyl-4-yl-2-mercaptomethyl-propio...)
Show SMILES Cc1ccc(CSC[C@@H](NC(=O)[C@@H](CS)Cc2ccc(cc2)-c2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C27H29NO3S2/c1-19-7-9-21(10-8-19)17-33-18-25(27(30)31)28-26(29)24(16-32)15-20-11-13-23(14-12-20)22-5-3-2-4-6-22/h2-14,24-25,32H,15-18H2,1H3,(H,28,29)(H,30,31)/t24-,25-/m1/s1
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 180n/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)


Article DOI: 10.1021/jm00041a026
BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
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
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/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)


Article DOI: 10.1021/jm00041a026
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


Article DOI: 10.1021/jm00041a026
BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50039506
PNG
((S)-3-tert-Butylsulfanyl-2-((S)-2-mercaptomethyl-3...)
Show SMILES CC(C)(C)SC[C@@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C17H25NO3S2/c1-17(2,3)23-11-14(16(20)21)18-15(19)13(10-22)9-12-7-5-4-6-8-12/h4-8,13-14,22H,9-11H2,1-3H3,(H,18,19)(H,20,21)/t13-,14-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 49n/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)


Article DOI: 10.1021/jm00041a026
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.5n/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)


Article DOI: 10.1021/jm00041a026
BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50039507
PNG
((S)-2-((S)-3-Biphenyl-4-yl-2-mercaptomethyl-propio...)
Show SMILES Cc1ccc(CSC[C@@H](NC(=O)[C@@H](CS)Cc2ccc(cc2)-c2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C27H29NO3S2/c1-19-7-9-21(10-8-19)17-33-18-25(27(30)31)28-26(29)24(16-32)15-20-11-13-23(14-12-20)22-5-3-2-4-6-22/h2-14,24-25,32H,15-18H2,1H3,(H,28,29)(H,30,31)/t24-,25-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 180n/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)


Article DOI: 10.1021/jm00041a026
BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50039498
PNG
((S)-2-((R)-2-Mercaptomethyl-3-phenyl-propionylamin...)
Show SMILES OC(=O)[C@@H](CSCCc1ccccc1)NC(=O)[C@H](CS)Cc1ccccc1
Show InChI InChI=1S/C21H25NO3S2/c23-20(18(14-26)13-17-9-5-2-6-10-17)22-19(21(24)25)15-27-12-11-16-7-3-1-4-8-16/h1-10,18-19,26H,11-15H2,(H,22,23)(H,24,25)/t18-,19+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 133n/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)


Article DOI: 10.1021/jm00041a026
BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50039502
PNG
((S)-2-((S)-2-Mercaptomethyl-3-phenyl-propionylamin...)
Show SMILES OC(=O)[C@@H](CSCCc1ccccc1)NC(=O)[C@@H](CS)Cc1ccccc1
Show InChI InChI=1S/C21H25NO3S2/c23-20(18(14-26)13-17-9-5-2-6-10-17)22-19(21(24)25)15-27-12-11-16-7-3-1-4-8-16/h1-10,18-19,26H,11-15H2,(H,22,23)(H,24,25)/t18-,19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 110n/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)


Article DOI: 10.1021/jm00041a026
BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50039505
PNG
((S)-2-((R)-3-Biphenyl-4-yl-2-mercaptomethyl-propio...)
Show SMILES Cc1ccc(CSC[C@@H](NC(=O)[C@H](CS)Cc2ccc(cc2)-c2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C27H29NO3S2/c1-19-7-9-21(10-8-19)17-33-18-25(27(30)31)28-26(29)24(16-32)15-20-11-13-23(14-12-20)22-5-3-2-4-6-22/h2-14,24-25,32H,15-18H2,1H3,(H,28,29)(H,30,31)/t24-,25+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 290n/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)


Article DOI: 10.1021/jm00041a026
BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50039502
PNG
((S)-2-((S)-2-Mercaptomethyl-3-phenyl-propionylamin...)
Show SMILES OC(=O)[C@@H](CSCCc1ccccc1)NC(=O)[C@@H](CS)Cc1ccccc1
Show InChI InChI=1S/C21H25NO3S2/c23-20(18(14-26)13-17-9-5-2-6-10-17)22-19(21(24)25)15-27-12-11-16-7-3-1-4-8-16/h1-10,18-19,26H,11-15H2,(H,22,23)(H,24,25)/t18-,19-/m1/s1
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 80n/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)


Article DOI: 10.1021/jm00041a026
BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50039498
PNG
((S)-2-((R)-2-Mercaptomethyl-3-phenyl-propionylamin...)
Show SMILES OC(=O)[C@@H](CSCCc1ccccc1)NC(=O)[C@H](CS)Cc1ccccc1
Show InChI InChI=1S/C21H25NO3S2/c23-20(18(14-26)13-17-9-5-2-6-10-17)22-19(21(24)25)15-27-12-11-16-7-3-1-4-8-16/h1-10,18-19,26H,11-15H2,(H,22,23)(H,24,25)/t18-,19+/m0/s1
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/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)


Article DOI: 10.1021/jm00041a026
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/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)


Article DOI: 10.1021/jm00041a026
BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


Article DOI: 10.1021/jm00041a026
BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
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
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 95n/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)


Article DOI: 10.1021/jm00041a026
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/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)


Article DOI: 10.1021/jm00041a026
BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50039517
PNG
((S)-3-(3,4-Dimethyl-benzylsulfanyl)-2-((R)-2-merca...)
Show SMILES Cc1ccc(CSC[C@@H](NC(=O)[C@H](CS)Cc2ccccc2)C(O)=O)cc1C
Show InChI InChI=1S/C22H27NO3S2/c1-15-8-9-18(10-16(15)2)13-28-14-20(22(25)26)23-21(24)19(12-27)11-17-6-4-3-5-7-17/h3-10,19-20,27H,11-14H2,1-2H3,(H,23,24)(H,25,26)/t19-,20+/m0/s1
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/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)


Article DOI: 10.1021/jm00041a026
BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50039517
PNG
((S)-3-(3,4-Dimethyl-benzylsulfanyl)-2-((R)-2-merca...)
Show SMILES Cc1ccc(CSC[C@@H](NC(=O)[C@H](CS)Cc2ccccc2)C(O)=O)cc1C
Show InChI InChI=1S/C22H27NO3S2/c1-15-8-9-18(10-16(15)2)13-28-14-20(22(25)26)23-21(24)19(12-27)11-17-6-4-3-5-7-17/h3-10,19-20,27H,11-14H2,1-2H3,(H,23,24)(H,25,26)/t19-,20+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 541n/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)


Article DOI: 10.1021/jm00041a026
BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50039503
PNG
((S)-2-((S)-2-Mercaptomethyl-3-naphthalen-2-yl-prop...)
Show SMILES Cc1ccc(CSC[C@@H](NC(=O)[C@@H](CS)Cc2ccc3ccccc3c2)C(O)=O)cc1
Show InChI InChI=1S/C25H27NO3S2/c1-17-6-8-18(9-7-17)15-31-16-23(25(28)29)26-24(27)22(14-30)13-19-10-11-20-4-2-3-5-21(20)12-19/h2-12,22-23,30H,13-16H2,1H3,(H,26,27)(H,28,29)/t22-,23-/m1/s1
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 460n/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)


Article DOI: 10.1021/jm00041a026
BindingDB Entry DOI: 10.7270/Q2571B20
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


Article DOI: 10.1021/jm00041a026
BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50039505
PNG
((S)-2-((R)-3-Biphenyl-4-yl-2-mercaptomethyl-propio...)
Show SMILES Cc1ccc(CSC[C@@H](NC(=O)[C@H](CS)Cc2ccc(cc2)-c2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C27H29NO3S2/c1-19-7-9-21(10-8-19)17-33-18-25(27(30)31)28-26(29)24(16-32)15-20-11-13-23(14-12-20)22-5-3-2-4-6-22/h2-14,24-25,32H,15-18H2,1H3,(H,28,29)(H,30,31)/t24-,25+/m0/s1
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/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)


Article DOI: 10.1021/jm00041a026
BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 290n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for its inhibitory activity against neutral endopeptidase (NEP)


J Med Chem 37: 2461-76 (1994)


Article DOI: 10.1021/jm00041a026
BindingDB Entry DOI: 10.7270/Q2571B20
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


Article DOI: 10.1021/jm00041a026
BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair