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SMILES: CCC(=O)OC(OP(=O)(CCCc1ccccc1)CC(=O)N1C[C@@H](C[C@H]1C(O)=O)C1CCCCC1)C(C)C

InChI Key: InChIKey=PJOGDRBKVPGTCC-OQIFMSPXSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50084622   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Angiotensin-converting enzyme


(Homo sapiens (Human))		BDBM50084622
PNG
((2S,4S)-4-cyclohexyl-1-[2-[(2-methyl-1-propanoylox...)
Show SMILES CCC(=O)OC(OP(=O)(CCCc1ccccc1)CC(=O)N1C[C@@H](C[C@H]1C(O)=O)C1CCCCC1)C(C)C
Show InChI InChI=1S/C29H44NO7P/c1-4-27(32)36-29(21(2)3)37-38(35,17-11-14-22-12-7-5-8-13-22)20-26(31)30-19-24(18-25(30)28(33)34)23-15-9-6-10-16-23/h5,7-8,12-13,21,23-25,29H,4,6,9-11,14-20H2,1-3H3,(H,33,34)/t24-,25+,29?,38?/m1/s1
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MMDB

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n/an/a 1n/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Inhibitory activity against angiotensin I converting enzyme (ACE)

J Med Chem 43: 305-41 (2000)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2JD4XH4
More data for this
Ligand-Target Pair