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BDBM31523 Naphthalene and Benzamide Derivative, 24

SMILES: C[C@@H](NC(=O)c1cc(NC(C)=O)ccc1C)c1cccc2ccccc12

InChI Key: InChIKey=KGPYBLOBHQLIET-GGYSOQFKNA-N

Data: 1 IC50

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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 = 31523   
Target
(Institution)
LigandTarget
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
SARS Coronavirus Coronavirus Papain-Like Protease


(Human SARS coronavirus (SARS-CoV))
BDBM31523
PNG
(Naphthalene and Benzamide Derivative, 24)
Show SMILES C[C@@H](NC(=O)c1cc(NC(C)=O)ccc1C)c1cccc2ccccc12 |r|
Show InChI InChI=1/C22H22N2O2/c1-14-11-12-18(24-16(3)25)13-21(14)22(26)23-15(2)19-10-6-8-17-7-4-5-9-20(17)19/h4-13,15H,1-3H3,(H,23,26)(H,24,25)/t15-/s2
PDB
MMDB

SMPDB pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 560n/an/an/an/a7.523



Purdue University



Assay Description
IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)