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BDBM50190010 (4R,5R)-4-(2-fluorophenyl)-5-((S)-hydroxy(5-(pyridin-3-yl)thiophen-2-yl)methyl)-1-methylpyrrolidin-2-one::CHEMBL214803

SMILES: CN1[C@@H]([C@H](O)c2ccc(s2)-c2cccnc2)[C@H](CC1=O)c1ccccc1F

InChI Key: InChIKey=ANECZFSQWGGBGJ-IPHXSNPTSA-N

Data: 2 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 2 hits for monomerid = 50190010   
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))
BDBM50190010
PNG
((4R,5R)-4-(2-fluorophenyl)-5-((S)-hydroxy(5-(pyrid...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)-c2cccnc2)[C@H](CC1=O)c1ccccc1F
Show InChI InChI=1S/C21H19FN2O2S/c1-24-19(25)11-15(14-6-2-3-7-16(14)22)20(24)21(26)18-9-8-17(27-18)13-5-4-10-23-12-13/h2-10,12,15,20-21,26H,11H2,1H3/t15-,20-,21-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Inhibition of estradiol to estrone conversion in MG63 cells


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
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (human))
BDBM50190010
PNG
((4R,5R)-4-(2-fluorophenyl)-5-((S)-hydroxy(5-(pyrid...)
Show SMILES CN1[C@@H]([C@H](O)c2ccc(s2)-c2cccnc2)[C@H](CC1=O)c1ccccc1F
Show InChI InChI=1S/C21H19FN2O2S/c1-24-19(25)11-15(14-6-2-3-7-16(14)22)20(24)21(26)18-9-8-17(27-18)13-5-4-10-23-12-13/h2-10,12,15,20-21,26H,11H2,1H3/t15-,20-,21-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 30n/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