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SMILES: Cn1nc([N+]([O-])=O)c2c(c(N)n(C3CCCCC3)c2c1=O)-c1nc2ccccc2s1

InChI Key: InChIKey=CSNUVOADLRVGSU-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 = 40263   
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))
BDBM40263
PNG
(2-amino-3-(1,3-benzothiazol-2-yl)-1-cyclohexyl-6-m...)
Show SMILES Cn1nc([N+]([O-])=O)c2c(c(N)n(C3CCCCC3)c2c1=O)-c1nc2ccccc2s1
Show InChI InChI=1S/C20H20N6O3S/c1-24-20(27)16-14(18(23-24)26(28)29)15(17(21)25(16)11-7-3-2-4-8-11)19-22-12-9-5-6-10-13(12)30-19/h5-6,9-11H,2-4,7-8,21H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.98E+3n/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
Estrogen receptor beta


(Homo sapiens (Human))
BDBM40263
PNG
(2-amino-3-(1,3-benzothiazol-2-yl)-1-cyclohexyl-6-m...)
Show SMILES Cn1nc([N+]([O-])=O)c2c(c(N)n(C3CCCCC3)c2c1=O)-c1nc2ccccc2s1
Show InChI InChI=1S/C20H20N6O3S/c1-24-20(27)16-14(18(23-24)26(28)29)15(17(21)25(16)11-7-3-2-4-8-11)19-22-12-9-5-6-10-13(12)30-19/h5-6,9-11H,2-4,7-8,21H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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 (2008)


BindingDB Entry DOI: 10.7270/Q2CF9NHH
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM40263
PNG
(2-amino-3-(1,3-benzothiazol-2-yl)-1-cyclohexyl-6-m...)
Show SMILES Cn1nc([N+]([O-])=O)c2c(c(N)n(C3CCCCC3)c2c1=O)-c1nc2ccccc2s1
Show InChI InChI=1S/C20H20N6O3S/c1-24-20(27)16-14(18(23-24)26(28)29)15(17(21)25(16)11-7-3-2-4-8-11)19-22-12-9-5-6-10-13(12)30-19/h5-6,9-11H,2-4,7-8,21H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.01E+3n/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/Q2WD3Z0J
More data for this
Ligand-Target Pair