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BDBM50253469 1-Chloro-3,4-dihydronaphthalene-2-carboxaldehyde guanylhydrazone::2-[(1-chloro-3,4-dihydronaphthalen-2-yl)methylene]hydrazinecarboximidamide::CHEMBL448651

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

InChI Key: InChIKey=OOCGRYVVXPBNID-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50253469   
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))
BDBM50253469
PNG
(1-Chloro-3,4-dihydronaphthalene-2-carboxaldehyde g...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-[#6]-1=[#6](Cl)-c2ccccc2-[#6]-[#6]-1 |w:5.5,c:6|
Show InChI InChI=1S/C12H13ClN4/c13-11-9(7-16-17-12(14)15)6-5-8-3-1-2-4-10(8)11/h1-4,7H,5-6H2,(H4,14,15,17)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha (unknown origin) assessed as inhibition of steroid receptor coactivator interaction in african green monkey COS7 cells by...


J Med Chem 51: 6512-30 (2008)


Article DOI: 10.1021/jm800698b
BindingDB Entry DOI: 10.7270/Q2KD1XRF
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50253469
PNG
(1-Chloro-3,4-dihydronaphthalene-2-carboxaldehyde g...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-[#6]-1=[#6](Cl)-c2ccccc2-[#6]-[#6]-1 |w:5.5,c:6|
Show InChI InChI=1S/C12H13ClN4/c13-11-9(7-16-17-12(14)15)6-5-8-3-1-2-4-10(8)11/h1-4,7H,5-6H2,(H4,14,15,17)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM50253469
PNG
(1-Chloro-3,4-dihydronaphthalene-2-carboxaldehyde g...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-[#6]-1=[#6](Cl)-c2ccccc2-[#6]-[#6]-1 |w:5.5,c:6|
Show InChI InChI=1S/C12H13ClN4/c13-11-9(7-16-17-12(14)15)6-5-8-3-1-2-4-10(8)11/h1-4,7H,5-6H2,(H4,14,15,17)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.50E+7n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from human estrogen receptor alpha/estrogen receptor beta


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))
BDBM50253469
PNG
(1-Chloro-3,4-dihydronaphthalene-2-carboxaldehyde g...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-[#6]-1=[#6](Cl)-c2ccccc2-[#6]-[#6]-1 |w:5.5,c:6|
Show InChI InChI=1S/C12H13ClN4/c13-11-9(7-16-17-12(14)15)6-5-8-3-1-2-4-10(8)11/h1-4,7H,5-6H2,(H4,14,15,17)
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
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))
BDBM50253469
PNG
(1-Chloro-3,4-dihydronaphthalene-2-carboxaldehyde g...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-[#6]-1=[#6](Cl)-c2ccccc2-[#6]-[#6]-1 |w:5.5,c:6|
Show InChI InChI=1S/C12H13ClN4/c13-11-9(7-16-17-12(14)15)6-5-8-3-1-2-4-10(8)11/h1-4,7H,5-6H2,(H4,14,15,17)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40E+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