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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50216276   
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 2


(Homo sapiens (Human))
BDBM50216276
PNG
((-)-dihydroguaiaretic acid | 4,4'-((2R,3R)-2,3-dim...)
Show SMILES COc1cc(C[C@@H](C)[C@H](C)Cc2ccc(O)c(OC)c2)ccc1O |r|
Show InChI InChI=1S/C20H26O4/c1-13(9-15-5-7-17(21)19(11-15)23-3)14(2)10-16-6-8-18(22)20(12-16)24-4/h5-8,11-14,21-22H,9-10H2,1-4H3/t13-,14-/m1/s1
KEGG

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MCE
PC cid
PC sid
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Article
PubMed
n/an/a 940n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of human 17beta-HSD2 expressed in HEK293 cell lysates incubated for 10 mins using [2,4,6,7-3H]-estradiol and NAD+ by scintillation countin...


J Nat Prod 80: 965-974 (2017)


Article DOI: 10.1021/acs.jnatprod.6b00950
BindingDB Entry DOI: 10.7270/Q2XD148R
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))
BDBM50216276
PNG
((-)-dihydroguaiaretic acid | 4,4'-((2R,3R)-2,3-dim...)
Show SMILES COc1cc(C[C@@H](C)[C@H](C)Cc2ccc(O)c(OC)c2)ccc1O |r|
Show InChI InChI=1S/C20H26O4/c1-13(9-15-5-7-17(21)19(11-15)23-3)14(2)10-16-6-8-18(22)20(12-16)24-4/h5-8,11-14,21-22H,9-10H2,1-4H3/t13-,14-/m1/s1
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Article
PubMed
n/an/a 7.70E+3n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibition of human 17beta-HSD1 expressed in HEK293 cell lysates incubated for 10 mins using [2,4,6,7-3H]-estrone and NADPH by scintillation counting...


J Nat Prod 80: 965-974 (2017)


Article DOI: 10.1021/acs.jnatprod.6b00950
BindingDB Entry DOI: 10.7270/Q2XD148R
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50216276
PNG
((-)-dihydroguaiaretic acid | 4,4'-((2R,3R)-2,3-dim...)
Show SMILES COc1cc(C[C@@H](C)[C@H](C)Cc2ccc(O)c(OC)c2)ccc1O |r|
Show InChI InChI=1S/C20H26O4/c1-13(9-15-5-7-17(21)19(11-15)23-3)14(2)10-16-6-8-18(22)20(12-16)24-4/h5-8,11-14,21-22H,9-10H2,1-4H3/t13-,14-/m1/s1
PDB

KEGG

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CHEMBL
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PC cid
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Article
PubMed
n/an/a 3.50E+4n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Binding affinity to glucocorticoid receptor by GR binding assay


J Nat Prod 70: 1118-21 (2007)


Article DOI: 10.1021/np070073x
BindingDB Entry DOI: 10.7270/Q2Z60NSJ
More data for this
Ligand-Target Pair