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1 similar compounds to monomer 50126999

Compile data set for download or QSAR
Wt: 598.4
BDBM50126983

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50126983   
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))
BDBM50126983
PNG
(CHEMBL3629439)
Show SMILES Oc1cccc(c1)C(=O)c1ccc(s1)-c1cccc(NS(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)c1
Show InChI InChI=1S/C24H15BrF3NO5S2/c25-16-7-10-22(19(13-16)34-24(26,27)28)36(32,33)29-17-5-1-3-14(11-17)20-8-9-21(35-20)23(31)15-4-2-6-18(30)12-15/h1-13,29-30H
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 199n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal 17beta HSD2 using unlabeled- and labelled [2,4,6,7-3H]-E2 as substrate incubated for 20 mins by HPLC analysi...


Eur J Med Chem 103: 56-68 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.030
BindingDB Entry DOI: 10.7270/Q22V2HXX
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50126983
PNG
(CHEMBL3629439)
Show SMILES Oc1cccc(c1)C(=O)c1ccc(s1)-c1cccc(NS(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)c1
Show InChI InChI=1S/C24H15BrF3NO5S2/c25-16-7-10-22(19(13-16)34-24(26,27)28)36(32,33)29-17-5-1-3-14(11-17)20-8-9-21(35-20)23(31)15-4-2-6-18(30)12-15/h1-13,29-30H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic 17beta HSD1 using unlabeled- and labelled [2,4,6,7-3H]-E1 as substrate incubated for 10 mins by HPLC analysis


Eur J Med Chem 103: 56-68 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.030
BindingDB Entry DOI: 10.7270/Q22V2HXX
More data for this
Ligand-Target Pair