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4 similar compounds to monomer 61849

Compile data set for download or QSAR
Wt: 359.4
BDBM40621
Wt: 345.4
BDBM48494
Wt: 359.4
BDBM48374
Wt: 331.4
BDBM51229

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 40621,48494,48374,51229   
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
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens (Human))
BDBM40621
PNG
((E)-3-amino-2-[2-[[5-(2,6-dimethylanilino)-1,3,4-t...)
Show SMILES CC(=N)C(C#N)C(=O)CSc1nnc(Nc2c(C)cccc2C)s1
Show InChI InChI=1S/C16H17N5OS2/c1-9-5-4-6-10(2)14(9)19-15-20-21-16(24-15)23-8-13(22)12(7-17)11(3)18/h4-6,12,18H,8H2,1-3H3,(H,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 1.72E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM48494
PNG
((E)-3-amino-2-[2-[[5-(2-methylanilino)-1,3,4-thiad...)
Show SMILES CC(=N)C(C#N)C(=O)CSc1nnc(Nc2ccccc2C)s1
Show InChI InChI=1S/C15H15N5OS2/c1-9-5-3-4-6-12(9)18-14-19-20-15(23-14)22-8-13(21)11(7-16)10(2)17/h3-6,11,17H,8H2,1-2H3,(H,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.18E+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 (2008)


BindingDB Entry DOI: 10.7270/Q2CF9NHH
More data for this
Ligand-Target Pair
BZLF2


(Human herpesvirus 4 type 2)
BDBM51229
PNG
((E)-3-amino-2-[2-[(5-anilino-1,3,4-thiadiazol-2-yl...)
Show SMILES CC(=N)C(C#N)C(=O)CSc1nnc(Nc2ccccc2)s1
Show InChI InChI=1S/C14H13N5OS2/c1-9(16)11(7-15)12(20)8-21-14-19-18-13(22-14)17-10-5-3-2-4-6-10/h2-6,11,16H,8H2,1H3,(H,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.40E+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: Theodore Jardetzky; Northw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM48494
PNG
((E)-3-amino-2-[2-[[5-(2-methylanilino)-1,3,4-thiad...)
Show SMILES CC(=N)C(C#N)C(=O)CSc1nnc(Nc2ccccc2C)s1
Show InChI InChI=1S/C15H15N5OS2/c1-9-5-3-4-6-12(9)18-14-19-20-15(23-14)22-8-13(21)11(7-16)10(2)17/h3-6,11,17H,8H2,1-2H3,(H,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.22E+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/Q2WD3Z0J
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM40621
PNG
((E)-3-amino-2-[2-[[5-(2,6-dimethylanilino)-1,3,4-t...)
Show SMILES CC(=N)C(C#N)C(=O)CSc1nnc(Nc2c(C)cccc2C)s1
Show InChI InChI=1S/C16H17N5OS2/c1-9-5-4-6-10(2)14(9)19-15-20-21-16(24-15)23-8-13(22)12(7-17)11(3)18/h4-6,12,18H,8H2,1-3H3,(H,19,20)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a 3.02E+4n/an/an/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 (2008)


BindingDB Entry DOI: 10.7270/Q2RJ4GWX
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM48374
PNG
((E)-3-amino-2-[2-[[5-(2,3-dimethylanilino)-1,3,4-t...)
Show SMILES CC(=N)C(C#N)C(=O)CSc1nnc(Nc2cccc(C)c2C)s1
Show InChI InChI=1S/C16H17N5OS2/c1-9-5-4-6-13(10(9)2)19-15-20-21-16(24-15)23-8-14(22)12(7-17)11(3)18/h4-6,12,18H,8H2,1-3H3,(H,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.23E+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/Q2WD3Z0J
More data for this
Ligand-Target Pair