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SMILES: CC(C)c1ccc2Sc3cc(F)ccc3CC(N3CCN(CCO)CC3)c2c1

InChI Key: InChIKey=XDBMBHVYXPBOPL-UHFFFAOYSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 442750   
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
Replicase polyprotein 1ab


(2019-nCoV)		BDBM442750
PNG
(Isofloxythepin)
Show SMILES CC(C)c1ccc2Sc3cc(F)ccc3CC(N3CCN(CCO)CC3)c2c1
Show InChI InChI=1S/C23H29FN2OS/c1-16(2)17-4-6-22-20(13-17)21(26-9-7-25(8-10-26)11-12-27)14-18-3-5-19(24)15-23(18)28-22/h3-6,13,15-16,21,27H,7-12,14H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
Article
n/an/an/an/a 4.80E+3n/an/an/an/a



Center for Free-Electron Laser Science



Assay Description
Briefly, Vero E6 cells (ATCC CRL-1586) seeded at 3.5 × 104 cells/well in 96-well plates were inoculated with 50 μ l of serial tenfold ...

bioRxiv 2020: (2020)


Article DOI: 10.1101/2020.11.12.378422
More data for this
Ligand-Target Pair