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SMILES: CCc1nnc2SCC(=Nn12)c1ccc(o1)-c1cc(Cl)ccc1Cl

InChI Key: InChIKey=VEGUPJYXLIMTPV-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 39984   
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
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM39984
PNG
(6-[5-(2,5-dichlorophenyl)-2-furanyl]-3-ethyl-7H-[1...)
Show SMILES CCc1nnc2SCC(=Nn12)c1ccc(o1)-c1cc(Cl)ccc1Cl |c:8|
Show InChI InChI=1S/C16H12Cl2N4OS/c1-2-15-19-20-16-22(15)21-12(8-24-16)14-6-5-13(23-14)10-7-9(17)3-4-11(10)18/h3-7H,2,8H2,1H3
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KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 734n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2GF0RZ3
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM39984
PNG
(6-[5-(2,5-dichlorophenyl)-2-furanyl]-3-ethyl-7H-[1...)
Show SMILES CCc1nnc2SCC(=Nn12)c1ccc(o1)-c1cc(Cl)ccc1Cl |c:8|
Show InChI InChI=1S/C16H12Cl2N4OS/c1-2-15-19-20-16-22(15)21-12(8-24-16)14-6-5-13(23-14)10-7-9(17)3-4-11(10)18/h3-7H,2,8H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.40E+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