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BDBM50525972 CHEMBL4459887

SMILES: Oc1ccc(F)c(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3)c2)c1Cl

InChI Key: InChIKey=XSBGMNVHRLMVIZ-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50525972   
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


(Homo sapiens (Human))
BDBM50525972
PNG
(CHEMBL4459887)
Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3)c2)c1Cl
Show InChI InChI=1S/C23H15ClFNO4S2/c24-22-18(27)10-9-17(25)21(22)23(28)20-12-11-19(31-20)14-5-4-6-15(13-14)26-32(29,30)16-7-2-1-3-8-16/h1-13,26-27H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental cytosolic fraction 17beta-HSD1 using [3H]-E1 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 1362-1372 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01493
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Homo sapiens (Human))
BDBM50525972
PNG
(CHEMBL4459887)
Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3)c2)c1Cl
Show InChI InChI=1S/C23H15ClFNO4S2/c24-22-18(27)10-9-17(25)21(22)23(28)20-12-11-19(31-20)14-5-4-6-15(13-14)26-32(29,30)16-7-2-1-3-8-16/h1-13,26-27H
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.70n/an/an/an/an/an/a



ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal fraction 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 1362-1372 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01493
More data for this
Ligand-Target Pair
Estradiol 17-beta-dehydrogenase 2


(Mus musculus)
BDBM50525972
PNG
(CHEMBL4459887)
Show SMILES Oc1ccc(F)c(C(=O)c2ccc(s2)-c2cccc(NS(=O)(=O)c3ccccc3)c2)c1Cl
Show InChI InChI=1S/C23H15ClFNO4S2/c24-22-18(27)10-9-17(25)21(22)23(28)20-12-11-19(31-20)14-5-4-6-15(13-14)26-32(29,30)16-7-2-1-3-8-16/h1-13,26-27H
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.70n/an/an/an/an/an/a



ElexoPharm GmbH

Curated by ChEMBL


Assay Description
Inhibition of mouse liver homogenate 17beta-HSD2 using [3H]-E2 as substrate in presence of NAD+ by radio-HPLC analysis


J Med Chem 62: 1362-1372 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01493
More data for this
Ligand-Target Pair