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SMILES: COc1cccc(NS(=O)(=O)c2cc(Cl)c(Oc3cccc(c3)N3CCNCC3)s2)c1

InChI Key: InChIKey=UMKANHGBCGSFLW-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 316456   
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
Beta-glucuronidase


(Homo sapiens (Human))		BDBM316456
PNG
(US9617239, BRITE-492799)
Show SMILES COc1cccc(NS(=O)(=O)c2cc(Cl)c(Oc3cccc(c3)N3CCNCC3)s2)c1
Show InChI InChI=1S/C21H22ClN3O4S2/c1-28-17-6-2-4-15(12-17)24-31(26,27)20-14-19(22)21(30-20)29-18-7-3-5-16(13-18)25-10-8-23-9-11-25/h2-7,12-14,23-24H,8-11H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 70n/an/an/an/an/an/a



North Carolina Central University; The University of North Carolina at Chapel Hill

US Patent


Assay Description
The β-glucuronidase assay was performed by the addition of 0.5 μl of compound (or DMSO) to the well of a black 384-well plate followed by t...

US Patent US9617239 (2017)


BindingDB Entry DOI: 10.7270/Q22B913V
More data for this
Ligand-Target Pair