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BDBM50056257 (6S,9S)-9-Mercaptomethyl-8-oxo-5,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-7-aza-benzocyclotetradecene-6-carboxylic acid::CHEMBL433702

SMILES: OC(=O)[C@@H]1Cc2ccccc2CCCCCCC[C@H](CS)C(=O)N1

InChI Key: InChIKey=VJXGETICKRSWGC-SJORKVTESA-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 = 50056257   
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
Neprilysin


(Homo sapiens (Human))
BDBM50056257
PNG
((6S,9S)-9-Mercaptomethyl-8-oxo-5,6,7,8,9,10,11,12,...)
Show SMILES OC(=O)[C@@H]1Cc2ccccc2CCCCCCC[C@H](CS)C(=O)N1
Show InChI InChI=1S/C19H27NO3S/c21-18-16(13-24)11-5-3-1-2-4-8-14-9-6-7-10-15(14)12-17(20-18)19(22)23/h6-7,9-10,16-17,24H,1-5,8,11-13H2,(H,20,21)(H,22,23)/t16-,17+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 900n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit neutral endopeptidase (NEP)


J Med Chem 40: 506-14 (1997)


Article DOI: 10.1021/jm960583g
BindingDB Entry DOI: 10.7270/Q2TM797S
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50056257
PNG
((6S,9S)-9-Mercaptomethyl-8-oxo-5,6,7,8,9,10,11,12,...)
Show SMILES OC(=O)[C@@H]1Cc2ccccc2CCCCCCC[C@H](CS)C(=O)N1
Show InChI InChI=1S/C19H27NO3S/c21-18-16(13-24)11-5-3-1-2-4-8-14-9-6-7-10-15(14)12-17(20-18)19(22)23/h6-7,9-10,16-17,24H,1-5,8,11-13H2,(H,20,21)(H,22,23)/t16-,17+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 900n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase


J Med Chem 40: 495-505 (1997)


Article DOI: 10.1021/jm960582o
BindingDB Entry DOI: 10.7270/Q2ZC81Z3
More data for this
Ligand-Target Pair