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BDBM50466363 CHEMBL4277154

SMILES: [H][C@@]12CC[C@@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@](O)(CN3CCN(Cc4cccc(OC)c4)CC3)CC[C@]12C

InChI Key: InChIKey=ZXBZCLXEVFDRFN-RUWQWWATSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50466363   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
3-hydroxyacyl-CoA dehydrogenase type-2


(Mus musculus)
BDBM50466363
PNG
(CHEMBL4277154)
Show SMILES COc1cccc(CN2CCN(C[C@@]3(O)CC[C@@]4(C)[C@@H](CC[C@H]5[C@@H]6CC[C@@H](O)[C@@]6(C)CC[C@H]45)C3)CC2)c1
Show InChI InChI=1S/C32H50N2O3/c1-30-13-14-32(36,22-34-17-15-33(16-18-34)21-23-5-4-6-25(19-23)37-3)20-24(30)7-8-26-27-9-10-29(35)31(27,2)12-11-28(26)30/h4-6,19,24,26-29,35-36H,7-18,20-22H2,1-3H3/t24-,26-,27-,28-,29+,30-,31-,32+/m0/s1
PDB

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GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.10E+5n/an/an/an/an/an/a



Laval University

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse full-length 17beta-HSD10 (2 to 261 residues) assessed as reduction in transformation of [14C]-E2 to E1 after 48 hrs i...


Bioorg Med Chem Lett 28: 3554-3559 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.031
BindingDB Entry DOI: 10.7270/Q2N300N2
More data for this
Ligand-Target Pair
3-hydroxyacyl-CoA dehydrogenase type-2


(Mus musculus)
BDBM50466363
PNG
(CHEMBL4277154)
Show SMILES COc1cccc(CN2CCN(C[C@@]3(O)CC[C@@]4(C)[C@@H](CC[C@H]5[C@@H]6CC[C@@H](O)[C@@]6(C)CC[C@H]45)C3)CC2)c1
Show InChI InChI=1S/C32H50N2O3/c1-30-13-14-32(36,22-34-17-15-33(16-18-34)21-23-5-4-6-25(19-23)37-3)20-24(30)7-8-26-27-9-10-29(35)31(27,2)12-11-28(26)30/h4-6,19,24,26-29,35-36H,7-18,20-22H2,1-3H3/t24-,26-,27-,28-,29+,30-,31-,32+/m0/s1
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.35E+5n/an/an/an/an/an/a



Laval University

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse full-length 17beta-HSD10 (2 to 261 residues) assessed as reduction in transformation of [3H]-ALLOP to 5alpha-DHP afte...


Bioorg Med Chem Lett 28: 3554-3559 (2018)


Article DOI: 10.1016/j.bmcl.2018.09.031
BindingDB Entry DOI: 10.7270/Q2N300N2
More data for this
Ligand-Target Pair