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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 = 'BDBM50369208'   
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


(Rattus norvegicus)		BDBM50369208
PNG
(CHEMBL1794004)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@]12CC[C@H]([C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C)C(O)=O
Show InChI InChI=1S/C36H59NO4/c1-10-22(4)29(30(39)40)37-31(41)36-18-13-23(21(2)3)28(36)24-11-12-26-33(7)16-15-27(38)32(5,6)25(33)14-17-35(26,9)34(24,8)19-20-36/h22-29,38H,2,10-20H2,1,3-9H3,(H,37,41)(H,39,40)/t22-,23-,24+,25-,26+,27-,28+,29-,33-,34+,35+,36-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6.30n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin I converting enzyme

J Med Chem 39: 1210-9 (1996)


Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV
More data for this
Ligand-Target Pair