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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Angiotensin-converting enzyme' and Ligand = 'BDBM50085458'   
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)		BDBM50085458
PNG
((S)-2-{(S)-2-[3-(Acetyl-hydroxy-amino)-2-benzyl-pr...)
Show SMILES CC(C)C[C@H](NC(=O)C(CN(O)C(C)=O)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C27H35N3O6/c1-18(2)14-23(26(33)29-24(27(34)35)16-21-12-8-5-9-13-21)28-25(32)22(17-30(36)19(3)31)15-20-10-6-4-7-11-20/h4-13,18,22-24,36H,14-17H2,1-3H3,(H,28,32)(H,29,33)(H,34,35)/t22?,23-,24-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 4.61E+5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme

Bioorg Med Chem Lett 10: 257-60 (2000)


BindingDB Entry DOI: 10.7270/Q2BK1BJ8
More data for this
Ligand-Target Pair