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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '17-beta-hydroxysteroid dehydrogenase type 1' and Ligand = 'BDBM50385898'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))
BDBM50385898
PNG
(CHEMBL2041358)
Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2cc(F)c(Br)cc2F)c1
Show InChI InChI=1S/C28H18BrF2NO4S/c29-23-14-25(31)27(15-24(23)30)37(35,36)32-20-5-1-4-19(12-20)28-22-9-7-17(11-18(22)8-10-26(28)34)16-3-2-6-21(33)13-16/h1-15,32-34H
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 46n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human placenta cytosolic 17betaHSD1 using [3H]E1 as substrate after 10 mins by radioflow detection assay


J Med Chem 55: 3307-18 (2012)


Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))
BDBM50385898
PNG
(CHEMBL2041358)
Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2cc(F)c(Br)cc2F)c1
Show InChI InChI=1S/C28H18BrF2NO4S/c29-23-14-25(31)27(15-24(23)30)37(35,36)32-20-5-1-4-19(12-20)28-22-9-7-17(11-18(22)8-10-26(28)34)16-3-2-6-21(33)13-16/h1-15,32-34H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 646n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of 17betaHSD1 in human T47D cells using [3H]E1 as substrate incubated for 30 mins prior to substrate addition measured after 30 mins by ra...


J Med Chem 55: 3307-18 (2012)


Article DOI: 10.1021/jm201735j
BindingDB Entry DOI: 10.7270/Q23J3F0K
More data for this
Ligand-Target Pair