BDBM48453 2-[[5-[[2-(3-chloroanilino)-4-thiazolyl]methyl]-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester::2-[[5-[[2-(3-chloroanilino)thiazol-4-yl]methyl]-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]acetic acid cyclohexyl ester::MLS000122599::SMR000120003::[5-[2-(3-Chloro-phenylamino)-thiazol-4-ylmethyl]-4-(3-methoxy-propyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid cyclohexyl ester::cid_3190578::cyclohexyl 2-[[5-[[2-(3-chloroanilino)-1,3-thiazol-4-yl]methyl]-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]acetate::cyclohexyl 2-[[5-[[2-[(3-chlorophenyl)amino]-1,3-thiazol-4-yl]methyl]-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

SMILES COCCCn1c(Cc2csc(Nc3cccc(Cl)c3)n2)nnc1SCC(=O)OC1CCCCC1

InChI Key InChIKey=QMLBYQMHNYDPLK-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 48453   

TargetEstrogen receptor beta(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM48453(2-[[5-[[2-(3-chloroanilino)-4-thiazolyl]methyl]-4-...)
Affinity DataIC50:  43.4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDNA dC->dU-editing enzyme APOBEC-3G(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM48453(2-[[5-[[2-(3-chloroanilino)-4-thiazolyl]methyl]-4-...)
Affinity DataIC50:  3.88E+4nMT: 2°CAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDNA dC->dU-editing enzyme APOBEC-3A(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM48453(2-[[5-[[2-(3-chloroanilino)-4-thiazolyl]methyl]-4-...)
Affinity DataIC50:  2.08E+4nMT: 2°CAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetEstrogen receptor beta(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM48453(2-[[5-[[2-(3-chloroanilino)-4-thiazolyl]methyl]-4-...)
Affinity DataIC50:  1.56E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay