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BDBM50096748 (S)-3-(4-Furan-2-yl-phenyl)-2-{[1-((S)-2-mercapto-3-methyl-1-oxo-butylamino)-cyclopentanecarbonyl]-amino}-propionic acid::CHEMBL125234

SMILES: CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccco1)C(O)=O

InChI Key: InChIKey=OTENDJVSLXDEDQ-ICSRJNTNSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50096748   
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
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50096748
PNG
((S)-3-(4-Furan-2-yl-phenyl)-2-{[1-((S)-2-mercapto-...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccco1)C(O)=O
Show InChI InChI=1S/C24H30N2O5S/c1-15(2)20(32)21(27)26-24(11-3-4-12-24)23(30)25-18(22(28)29)14-16-7-9-17(10-8-16)19-6-5-13-31-19/h5-10,13,15,18,20,32H,3-4,11-12,14H2,1-2H3,(H,25,30)(H,26,27)(H,28,29)/t18-,20-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was tested against Endothelin converting enzyme 1


Bioorg Med Chem Lett 11: 375-8 (2001)


Article DOI: 10.1016/s0960-894x(00)00657-0
BindingDB Entry DOI: 10.7270/Q2HH6JC8
More data for this
Ligand-Target Pair