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1 similar compounds to monomer 50126975

Compile data set for download or QSAR
Wt: 514.4
BDBM50126998

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50126998   
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))
BDBM50126998
PNG
(CHEMBL3629453)
Show SMILES Oc1cccc(c1)C(=O)c1ccc(s1)-c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1
Show InChI InChI=1S/C23H16BrNO4S2/c24-17-7-9-20(10-8-17)31(28,29)25-18-5-1-3-15(13-18)21-11-12-22(30-21)23(27)16-4-2-6-19(26)14-16/h1-14,25-26H
KEGG

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 162n/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))
BDBM50126998
PNG
(CHEMBL3629453)
Show SMILES Oc1cccc(c1)C(=O)c1ccc(s1)-c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1
Show InChI InChI=1S/C23H16BrNO4S2/c24-17-7-9-20(10-8-17)31(28,29)25-18-5-1-3-15(13-18)21-11-12-22(30-21)23(27)16-4-2-6-19(26)14-16/h1-14,25-26H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/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