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BDBM50119744 2-{[1-(2-Mercapto-3-methyl-butyrylamino)-cyclopentanecarbonyl]-amino}-3-(6-thiophen-3-yl-pyridin-3-yl)-propionic acid::CHEMBL103327

SMILES: CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)NC(Cc1ccc(nc1)-c1ccsc1)C(O)=O

InChI Key: InChIKey=PESRIAJACJCNSF-GGYWPGCISA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50119744   
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


(Homo sapiens (Human))
BDBM50119744
PNG
(2-{[1-(2-Mercapto-3-methyl-butyrylamino)-cyclopent...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)NC(Cc1ccc(nc1)-c1ccsc1)C(O)=O
Show InChI InChI=1S/C23H29N3O4S2/c1-14(2)19(31)20(27)26-23(8-3-4-9-23)22(30)25-18(21(28)29)11-15-5-6-17(24-12-15)16-7-10-32-13-16/h5-7,10,12-14,18-19,31H,3-4,8-9,11H2,1-2H3,(H,25,30)(H,26,27)(H,28,29)/t18?,19-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

n/an/a 30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) endothelin converting enzyme-1


Citation and Details
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50119744
PNG
(2-{[1-(2-Mercapto-3-methyl-butyrylamino)-cyclopent...)
Show SMILES CC(C)[C@H](S)C(=O)NC1(CCCC1)C(=O)NC(Cc1ccc(nc1)-c1ccsc1)C(O)=O
Show InChI InChI=1S/C23H29N3O4S2/c1-14(2)19(31)20(27)26-23(8-3-4-9-23)22(30)25-18(21(28)29)11-15-5-6-17(24-12-15)16-7-10-32-13-16/h5-7,10,12-14,18-19,31H,3-4,8-9,11H2,1-2H3,(H,25,30)(H,26,27)(H,28,29)/t18?,19-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Novartis Institute for BioMedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of Endothelin-converting enzyme 1.


Bioorg Med Chem Lett 12: 3059-62 (2002)


Article DOI: 10.1016/s0960-894x(02)00683-2
BindingDB Entry DOI: 10.7270/Q26D5SCZ
More data for this
Ligand-Target Pair