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BDBM316375 US9617239, BRITE-355006

SMILES: Cc1ccc(CNS(=O)(=O)c2ccc(Oc3cccc(c3)N3CCNCC3)s2)c(C)c1

InChI Key: InChIKey=ATPSKUXWKBYWSN-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 316375   
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 (β-glucuronidase)


(Homo sapiens (Human))
BDBM316375
PNG
(US9617239, BRITE-355006)
Show SMILES Cc1ccc(CNS(=O)(=O)c2ccc(Oc3cccc(c3)N3CCNCC3)s2)c(C)c1
Show InChI InChI=1S/C23H27N3O3S2/c1-17-6-7-19(18(2)14-17)16-25-31(27,28)23-9-8-22(30-23)29-21-5-3-4-20(15-21)26-12-10-24-11-13-26/h3-9,14-15,24-25H,10-13,16H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 210n/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