BindingDB logo
myBDB logout

BDBM50126999 CHEMBL3629593

SMILES: Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)-c1ccc(s1)C(=O)c1cccc(O)c1

InChI Key: InChIKey=GHXNWHQYKCCLKS-UHFFFAOYSA-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 = 50126999   
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 1 (17beta-HSD1)


(Homo sapiens (Human))
BDBM50126999
PNG
(CHEMBL3629593)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)-c1ccc(s1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C24H19NO4S2/c1-16-8-10-21(11-9-16)31(28,29)25-19-6-2-4-17(14-19)22-12-13-23(30-22)24(27)18-5-3-7-20(26)15-18/h2-15,25-26H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12n/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