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BDBM44671 MLS000062223::N-(1,3-benzodioxol-5-yl)-5-chloranyl-2-methoxy-benzamide::N-(1,3-benzodioxol-5-yl)-5-chloro-2-methoxy-benzamide::N-(1,3-benzodioxol-5-yl)-5-chloro-2-methoxybenzamide::N-1,3-benzodioxol-5-yl-5-chloro-2-methoxybenzamide::SMR000071030::cid_801509

SMILES: COc1ccc(Cl)cc1C(=O)Nc1ccc2OCOc2c1

InChI Key: InChIKey=BHGUALWJNNZTRZ-UHFFFAOYSA-N

Data: 1 EC50

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 = 44671   
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
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44671
PNG
(MLS000062223 | N-(1,3-benzodioxol-5-yl)-5-chlorany...)
Show SMILES COc1ccc(Cl)cc1C(=O)Nc1ccc2OCOc2c1
Show InChI InChI=1S/C15H12ClNO4/c1-19-12-4-2-9(16)6-11(12)15(18)17-10-3-5-13-14(7-10)21-8-20-13/h2-7H,8H2,1H3,(H,17,18)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.57E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair