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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 = 'BDBM50013615'   
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)		BDBM50013615
PNG
(1-[2-(1-Carboxy-3-phenyl-propylamino)-propionyl]-4...)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CC(C[C@H]1C(O)=O)NNC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C25H30ClN5O8S/c1-14(28-19(24(34)35)10-7-15-5-3-2-4-6-15)23(33)31-13-17(12-20(31)25(36)37)29-30-22(32)16-8-9-18(26)21(11-16)40(27,38)39/h2-6,8-9,11,14,17,19-20,28-29H,7,10,12-13H2,1H3,(H,30,32)(H,34,35)(H,36,37)(H2,27,38,39)/t14-,17?,19-,20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

Patents
PubMed
n/an/a 26n/an/an/an/an/an/a



Rorer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme in rabbit lung

J Med Chem 33: 1606-15 (1990)


BindingDB Entry DOI: 10.7270/Q2CF9QPK
More data for this
Ligand-Target Pair