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BDBM50273852 9-Chloro-6,7-dihydro-5-benzocycloheptene-8-carboxaldehyde guanylhydrazone::CHEMBL456594

SMILES: [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-[#6]-1=[#6](Cl)-c2ccccc2-[#6]-[#6]-[#6]-1

InChI Key: InChIKey=GQGNCDWOCROBBL-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50273852   
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))
BDBM50273852
PNG
(9-Chloro-6,7-dihydro-5-benzocycloheptene-8-carboxa...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-[#6]-1=[#6](Cl)-c2ccccc2-[#6]-[#6]-[#6]-1 |w:5.5,c:6|
Show InChI InChI=1S/C13H15ClN4/c14-12-10(8-17-18-13(15)16)6-3-5-9-4-1-2-7-11(9)12/h1-2,4,7-8H,3,5-6H2,(H4,15,16,18)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60E+4n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of estradiol-induced coactivator peptide SRC binding to recombinant estrogen receptor (unknown origin) by fluorescence polarization assay


Bioorg Med Chem 16: 10075-84 (2008)


Article DOI: 10.1016/j.bmc.2008.10.007
BindingDB Entry DOI: 10.7270/Q28915Q2
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Maedi visna virus (strain 1514) (MVV) (Visna lenti...)
BDBM50273852
PNG
(9-Chloro-6,7-dihydro-5-benzocycloheptene-8-carboxa...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-[#6]-1=[#6](Cl)-c2ccccc2-[#6]-[#6]-[#6]-1 |w:5.5,c:6|
Show InChI InChI=1S/C13H15ClN4/c14-12-10(8-17-18-13(15)16)6-3-5-9-4-1-2-7-11(9)12/h1-2,4,7-8H,3,5-6H2,(H4,15,16,18)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.60E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor alpha (unknown origin) expressed in human HEC1 cells assessed as inhibition of 100 nM estradiol-induced tran...


Bioorg Med Chem 16: 10075-84 (2008)


Article DOI: 10.1016/j.bmc.2008.10.007
BindingDB Entry DOI: 10.7270/Q28915Q2
More data for this
Ligand-Target Pair
Envelope glycoprotein gp70


(Mouse mammary tumor virus (strain GR) (MMTV))
BDBM50273852
PNG
(9-Chloro-6,7-dihydro-5-benzocycloheptene-8-carboxa...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-[#6]-1=[#6](Cl)-c2ccccc2-[#6]-[#6]-[#6]-1 |w:5.5,c:6|
Show InChI InChI=1S/C13H15ClN4/c14-12-10(8-17-18-13(15)16)6-3-5-9-4-1-2-7-11(9)12/h1-2,4,7-8H,3,5-6H2,(H4,15,16,18)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of estradiol-induced coactivator peptide SRC1 binding to estrogen receptor alpha (unknown origin) expressed in human HEC1 cells after 24 h...


Bioorg Med Chem 16: 10075-84 (2008)


Article DOI: 10.1016/j.bmc.2008.10.007
BindingDB Entry DOI: 10.7270/Q28915Q2
More data for this
Ligand-Target Pair
Gag polyprotein


(Avian erythroblastosis virus (strain ES4))
BDBM50273852
PNG
(9-Chloro-6,7-dihydro-5-benzocycloheptene-8-carboxa...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-[#6]-1=[#6](Cl)-c2ccccc2-[#6]-[#6]-[#6]-1 |w:5.5,c:6|
Show InChI InChI=1S/C13H15ClN4/c14-12-10(8-17-18-13(15)16)6-3-5-9-4-1-2-7-11(9)12/h1-2,4,7-8H,3,5-6H2,(H4,15,16,18)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor alpha (unknown origin) expressed in human HEC1 cells assessed as inhibition of 1 nM estradiol-induced transc...


Bioorg Med Chem 16: 10075-84 (2008)


Article DOI: 10.1016/j.bmc.2008.10.007
BindingDB Entry DOI: 10.7270/Q28915Q2
More data for this
Ligand-Target Pair