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SMILES: COc1ccc2oc(COc3ccc(Cl)cc3)c(C(O)=O)c2c1

InChI Key: InChIKey=NVKFNXWHGLEPAQ-UHFFFAOYSA-N

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 43234   
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
Ras-related C3 botulinum toxin substrate 1


(Mus musculus)
BDBM43234
PNG
(2-[(4-chloranylphenoxy)methyl]-5-methoxy-1-benzofu...)
Show SMILES COc1ccc2oc(COc3ccc(Cl)cc3)c(C(O)=O)c2c1
Show InChI InChI=1S/C17H13ClO5/c1-21-12-6-7-14-13(8-12)16(17(19)20)15(23-14)9-22-11-4-2-10(18)3-5-11/h2-8H,9H2,1H3,(H,19,20)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.90E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2377749
More data for this
Ligand-Target Pair
Cell division control protein 42 homolog


(Homo sapiens (Human))
BDBM43234
PNG
(2-[(4-chloranylphenoxy)methyl]-5-methoxy-1-benzofu...)
Show SMILES COc1ccc2oc(COc3ccc(Cl)cc3)c(C(O)=O)c2c1
Show InChI InChI=1S/C17H13ClO5/c1-21-12-6-7-14-13(8-12)16(17(19)20)15(23-14)9-22-11-4-2-10(18)3-5-11/h2-8H,9H2,1H3,(H,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 6.40E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q22J698B
More data for this
Ligand-Target Pair