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Compile Data Set for Download or QSAR

Found 2 hits from CHUQ (CHUL)-Research Center   
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
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50350421
PNG
(CHEMBL1813731)
Show SMILES C[C@@H]1CN([C@@H](C)CN1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]23)C1)S(=O)(=O)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C33H47F3N2O4S/c1-21-19-38(43(41,42)28-8-6-5-7-27(28)33(34,35)36)22(2)18-37(21)20-32(40)16-15-30(3)23(17-32)9-10-24-25-11-12-29(39)31(25,4)14-13-26(24)30/h5-8,21-26,40H,9-20H2,1-4H3/t21-,22+,23+,24+,25+,26+,30+,31+,32-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



CHUQ (CHUL)-Research Center

Curated by ChEMBL


Assay Description
Inhibition of 17Beta-HSD3 expressed in intact HEK293 cells assessed as transformation of [14C]-4-androstene-3,17-dione into [14C]-testosterone in pre...


Bioorg Med Chem 19: 4652-68 (2011)


Article DOI: 10.1016/j.bmc.2011.06.003
BindingDB Entry DOI: 10.7270/Q2222V4T
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 3


(Homo sapiens (Human))
BDBM50350422
PNG
(CHEMBL1813912)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@]5(CN(CCC(CN6CCOCC6)OC(=O)C6CCCCC6)C(=O)O5)CC[C@]34C)[C@@H]1CCC2=O
Show InChI InChI=1S/C36H56N2O6/c1-34-15-16-36(22-26(34)8-9-28-29-10-11-31(39)35(29,2)14-12-30(28)34)24-38(33(41)44-36)17-13-27(23-37-18-20-42-21-19-37)43-32(40)25-6-4-3-5-7-25/h25-30H,3-24H2,1-2H3/t26-,27?,28-,29-,30-,34-,35-,36+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 51n/an/an/an/an/an/a



CHUQ (CHUL)-Research Center

Curated by ChEMBL


Assay Description
Inhibition of 17Beta-HSD3 expressed in intact HEK293 cells assessed as transformation of [14C]-4-androstene-3,17-dione into [14C]-testosterone in pre...


Bioorg Med Chem 19: 4652-68 (2011)


Article DOI: 10.1016/j.bmc.2011.06.003
BindingDB Entry DOI: 10.7270/Q2222V4T
More data for this
Ligand-Target Pair