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SMILES: COc1ccccc1-c1ccc(CC(NC(=O)C2(CCCC2)NC(=O)[C@@H](S)C(C)C)C(O)=O)cc1

InChI Key: InChIKey=ISGSIHDOIVOYOM-YANBTOMASA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50488987   
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
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50488987
PNG
(CHEMBL2297549)
Show SMILES COc1ccccc1-c1ccc(CC(NC(=O)C2(CCCC2)NC(=O)[C@@H](S)C(C)C)C(O)=O)cc1 |r|
Show InChI InChI=1S/C27H34N2O5S/c1-17(2)23(35)24(30)29-27(14-6-7-15-27)26(33)28-21(25(31)32)16-18-10-12-19(13-11-18)20-8-4-5-9-22(20)34-3/h4-5,8-13,17,21,23,35H,6-7,14-16H2,1-3H3,(H,28,33)(H,29,30)(H,31,32)/t21?,23-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
n/an/a 370n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) endothelin converting enzyme-1

Citation and Details

Article DOI: 10.1007/s00044-012-0433-z
BindingDB Entry DOI: 10.7270/Q2S185DK
More data for this
Ligand-Target Pair