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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50017122   
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


(Homo sapiens (Human))
BDBM50017122
PNG
(7-[2-(1-Carboxy-3-phenyl-propylamino)-propionyl]-1...)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CC2(C[C@H]1C(O)=O)SCCS2
Show InChI InChI=1S/C20H26N2O5S2/c1-13(21-15(18(24)25)8-7-14-5-3-2-4-6-14)17(23)22-12-20(28-9-10-29-20)11-16(22)19(26)27/h2-6,13,15-16,21H,7-12H2,1H3,(H,24,25)(H,26,27)/t13-,15-,16-/m0/s1
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PubMed
n/an/a 0.800n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Compound tested in vitro for inhibition of Angiotensin I converting enzyme


J Med Chem 32: 1600-6 (1989)


BindingDB Entry DOI: 10.7270/Q2M61KVW
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50017122
PNG
(7-[2-(1-Carboxy-3-phenyl-propylamino)-propionyl]-1...)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CC2(C[C@H]1C(O)=O)SCCS2
Show InChI InChI=1S/C20H26N2O5S2/c1-13(21-15(18(24)25)8-7-14-5-3-2-4-6-14)17(23)22-12-20(28-9-10-29-20)11-16(22)19(26)27/h2-6,13,15-16,21H,7-12H2,1H3,(H,24,25)(H,26,27)/t13-,15-,16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 0.900n/an/an/an/an/an/a



Schering-Plough Corporation

Curated by ChEMBL


Assay Description
Compound tested in vivo for inhibition of Angiotensin I converting enzyme in rat


J Med Chem 32: 1600-6 (1989)


BindingDB Entry DOI: 10.7270/Q2M61KVW
More data for this
Ligand-Target Pair