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BDBM50497564 CHEMBL3344098

SMILES: CCOC(=O)C1=C(C)NC(C)=C(C1c1cc(Br)cc(Br)c1OCC#CCN1CCN(CCO)CC1)C(=O)OCC

InChI Key: InChIKey=VGTGEVMCDPTOEH-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50497564   
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


(Oryctolagus cuniculus)		BDBM50497564
PNG
(CHEMBL3344098)
Show SMILES CCOC(=O)C1=C(C)NC(C)=C(C1c1cc(Br)cc(Br)c1OCC#CCN1CCN(CCO)CC1)C(=O)OCC |c:5,10|
Show InChI InChI=1S/C29H37Br2N3O6/c1-5-38-28(36)24-19(3)32-20(4)25(29(37)39-6-2)26(24)22-17-21(30)18-23(31)27(22)40-16-8-7-9-33-10-12-34(13-11-33)14-15-35/h17-18,26,32,35H,5-6,9-16H2,1-4H3
MMDB

KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 928n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of rabbit lung ACE using hippuryl-histidyl-leucine as substrate assessed as release of hippuric acid incubated for 10 mins prior to substr...

Bioorg Med Chem 22: 5824-30 (2014)


Article DOI: 10.1016/j.bmc.2014.09.027
BindingDB Entry DOI: 10.7270/Q2G73HQ4
More data for this
Ligand-Target Pair