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SMILES: Cc1ccc(NS(C)(=O)=O)c(c1)C(=O)N1CCCCC1c1cc2nc3COCc3c(N3CCOCC3)n2n1

InChI Key: InChIKey=FQZGDGBQWXRWIM-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 301498   
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
Protein M2-1


(Human respiratory syncytial virus A (strain A2))		BDBM301498
PNG
(US10131673, Compound P25)
Show SMILES Cc1ccc(NS(C)(=O)=O)c(c1)C(=O)N1CCCCC1c1cc2nc3COCc3c(N3CCOCC3)n2n1
Show InChI InChI=1S/C26H32N6O5S/c1-17-6-7-20(29-38(2,34)35)18(13-17)26(33)31-8-4-3-5-23(31)21-14-24-27-22-16-37-15-19(22)25(32(24)28-21)30-9-11-36-12-10-30/h6-7,13-14,23,29H,3-5,8-12,15-16H2,1-2H3
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 468n/an/an/an/a



Janssen Sciences Ireland UC

US Patent


Assay Description
Black 384-well clear-bottom microtiter plates (Corning, Amsterdam, The Netherlands) were filled via acoustic drop ejection using the echo liquid hand...

US Patent US10131673 (2018)


BindingDB Entry DOI: 10.7270/Q2571F27
More data for this
Ligand-Target Pair