BindingDB logo
myBDB logout

BDBM50283610 (3S,5S)-4-(2-Mercaptomethyl-3-phenyl-propionylamino)-1-((S)-3-mercapto-2-methyl-propionyl)-pyrrolidine-2-carboxylic acid::CHEMBL328327

SMILES: C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C(O)=O)NC(=O)C(CS)Cc1ccccc1

InChI Key: InChIKey=BVEZVWDJQNJONB-YWQJXVSHSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50283610   
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
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50283610
PNG
((3S,5S)-4-(2-Mercaptomethyl-3-phenyl-propionylamin...)
Show SMILES C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C(O)=O)NC(=O)C(CS)Cc1ccccc1
Show InChI InChI=1S/C19H26N2O4S2/c1-12(10-26)18(23)21-9-15(8-16(21)19(24)25)20-17(22)14(11-27)7-13-5-3-2-4-6-13/h2-6,12,14-16,26-27H,7-11H2,1H3,(H,20,22)(H,24,25)/t12-,14?,15+,16+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against neutral endopeptidase 24.11 (NEP) in rat kidney cortex membrane


Bioorg Med Chem Lett 4: 2673-2676 (1994)


Article DOI: 10.1016/S0960-894X(01)80694-6
BindingDB Entry DOI: 10.7270/Q2X34XXT
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50283610
PNG
((3S,5S)-4-(2-Mercaptomethyl-3-phenyl-propionylamin...)
Show SMILES C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C(O)=O)NC(=O)C(CS)Cc1ccccc1
Show InChI InChI=1S/C19H26N2O4S2/c1-12(10-26)18(23)21-9-15(8-16(21)19(24)25)20-17(22)14(11-27)7-13-5-3-2-4-6-13/h2-6,12,14-16,26-27H,7-11H2,1H3,(H,20,22)(H,24,25)/t12-,14?,15+,16+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 87n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against angiotensin converting enzyme (ACE)


Bioorg Med Chem Lett 4: 2673-2676 (1994)


Article DOI: 10.1016/S0960-894X(01)80694-6
BindingDB Entry DOI: 10.7270/Q2X34XXT
More data for this
Ligand-Target Pair