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SMILES: Cc1c(C=Nn2cnnc2)c2ccccc2n1CCOc1ccc(Cl)cc1

InChI Key: InChIKey=BAGWDNCWRTVDBN-UHFFFAOYSA-N

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 3 hits for monomerid = 40112   
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
Estrogen receptor


(Homo sapiens (Human))
BDBM40112
PNG
(1-[1-[2-(4-chloranylphenoxy)ethyl]-2-methyl-indol-...)
Show SMILES Cc1c(C=Nn2cnnc2)c2ccccc2n1CCOc1ccc(Cl)cc1 |w:4.4|
Show InChI InChI=1S/C20H18ClN5O/c1-15-19(12-24-25-13-22-23-14-25)18-4-2-3-5-20(18)26(15)10-11-27-17-8-6-16(21)7-9-17/h2-9,12-14H,10-11H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2QJ7FQ3
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)
BDBM40112
PNG
(1-[1-[2-(4-chloranylphenoxy)ethyl]-2-methyl-indol-...)
Show SMILES Cc1c(C=Nn2cnnc2)c2ccccc2n1CCOc1ccc(Cl)cc1 |w:4.4|
Show InChI InChI=1S/C20H18ClN5O/c1-15-19(12-24-25-13-22-23-14-25)18-4-2-3-5-20(18)26(15)10-11-27-17-8-6-16(21)7-9-17/h2-9,12-14H,10-11H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a>9.90E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2TB15DB
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)
BDBM40112
PNG
(1-[1-[2-(4-chloranylphenoxy)ethyl]-2-methyl-indol-...)
Show SMILES Cc1c(C=Nn2cnnc2)c2ccccc2n1CCOc1ccc(Cl)cc1 |w:4.4|
Show InChI InChI=1S/C20H18ClN5O/c1-15-19(12-24-25-13-22-23-14-25)18-4-2-3-5-20(18)26(15)10-11-27-17-8-6-16(21)7-9-17/h2-9,12-14H,10-11H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>9.90E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2Z31X54
More data for this
Ligand-Target Pair