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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 = 'BDBM50085460'   
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)		BDBM50085460
PNG
((4S,7S,12bR)-7-[(R)-2-Benzyl-3-(formyl-hydroxy-ami...)
Show SMILES ON(C[C@@H](Cc1ccccc1)C(=O)N[C@H]1Cc2ccccc2[C@H]2CCC[C@H](N2C1=O)C(O)=O)C=O
Show InChI InChI=1S/C26H29N3O6/c30-16-28(35)15-19(13-17-7-2-1-3-8-17)24(31)27-21-14-18-9-4-5-10-20(18)22-11-6-12-23(26(33)34)29(22)25(21)32/h1-5,7-10,16,19,21-23,35H,6,11-15H2,(H,27,31)(H,33,34)/t19-,21+,22-,23+/m1/s1
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PC cid
PC sid
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PubMed
n/an/a 3.40n/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