BindingDB logo
myBDB logout

BDBM50190030 (4R,5R)-5-((S)-hydroxy(5-(phenylsulfonyl)thiophen-2-yl)methyl)-4-(2-methoxyphenyl)-1-methylpyrrolidin-2-one::CHEMBL215309

SMILES: COc1ccccc1[C@H]1CC(=O)N(C)[C@H]1[C@H](O)c1ccc(s1)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=QJMUHGMLZFKPLG-NLSFWIRASA-N

Data: 1 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 1 hit for monomerid = 50190030   
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
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50190030
PNG
((4R,5R)-5-((S)-hydroxy(5-(phenylsulfonyl)thiophen-...)
Show SMILES COc1ccccc1[C@H]1CC(=O)N(C)[C@H]1[C@H](O)c1ccc(s1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H23NO5S2/c1-24-20(25)14-17(16-10-6-7-11-18(16)29-2)22(24)23(26)19-12-13-21(30-19)31(27,28)15-8-4-3-5-9-15/h3-13,17,22-23,26H,14H2,1-2H3/t17-,22-,23-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 17beta-HSD2


Bioorg Med Chem Lett 16: 4965-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.041
BindingDB Entry DOI: 10.7270/Q2GB24V1
More data for this
Ligand-Target Pair