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BDBM97368 ECE Inhibitor, 8

SMILES: CC(C)(C)CC(=O)Nc1ccc2n(Cc3ccccc3F)c(cc2c1)C(=O)Nc1nc2ccccc2[nH]1

InChI Key: InChIKey=RQJVHJPRLQHTPO-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 97368   
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 (ECE)


(Rattus norvegicus (Rat))
BDBM97368
PNG
(ECE Inhibitor, 8)
Show SMILES CC(C)(C)CC(=O)Nc1ccc2n(Cc3ccccc3F)c(cc2c1)C(=O)Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C29H28FN5O2/c1-29(2,3)16-26(36)31-20-12-13-24-19(14-20)15-25(35(24)17-18-8-4-5-9-21(18)30)27(37)34-28-32-22-10-6-7-11-23(22)33-28/h4-15H,16-17H2,1-3H3,(H,31,36)(H2,32,33,34,37)
PDB
MMDB

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Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Bayer HealthCare AG



Assay Description
Inhibition assay using ECE.


ChemMedChem 1: 96-105 (2006)


Article DOI: 10.1002/cmdc.200500009
BindingDB Entry DOI: 10.7270/Q2TQ604C
More data for this
Ligand-Target Pair