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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 442.5
BDBM50023301

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50023301
PNG
(2-(4-Carboxymethyl-5-oxo-3-phenyl-[1,4]thiazepan-6...)
Show SMILES OC(=O)CN1[C@H](CSC[C@H](N[C@@H](CCc2ccccc2)C(O)=O)C1=O)c1ccccc1
Show InChI InChI=1S/C23H26N2O5S/c26-21(27)13-25-20(17-9-5-2-6-10-17)15-31-14-19(22(25)28)24-18(23(29)30)12-11-16-7-3-1-4-8-16/h1-10,18-20,24H,11-15H2,(H,26,27)(H,29,30)/t18-,19-,20+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 78n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of rabbit lung Angiotensin I converting enzyme with 5 mM hippuryl-histidyl-leucine as substrate


J Med Chem 31: 422-8 (1988)


BindingDB Entry DOI: 10.7270/Q2S75GWH
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50023301
PNG
(2-(4-Carboxymethyl-5-oxo-3-phenyl-[1,4]thiazepan-6...)
Show SMILES OC(=O)CN1[C@H](CSC[C@H](N[C@@H](CCc2ccccc2)C(O)=O)C1=O)c1ccccc1
Show InChI InChI=1S/C23H26N2O5S/c26-21(27)13-25-20(17-9-5-2-6-10-17)15-31-14-19(22(25)28)24-18(23(29)30)12-11-16-7-3-1-4-8-16/h1-10,18-20,24H,11-15H2,(H,26,27)(H,29,30)/t18-,19-,20+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 78n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit lung Angiotensin I converting enzyme with 5 mM hippurylhistidylleucine as substrate


J Med Chem 30: 1984-91 (1987)


BindingDB Entry DOI: 10.7270/Q2Q52NMJ
More data for this
Ligand-Target Pair