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PubMed code 15828812

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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))
BDBM50237104
PNG
(2-((8R,9S,13S,14S,16R)-2-ethyl-3-hydroxy-13-methyl...)
Show SMILES CCc1cc2[C@H]3CC[C@@]4(C)[C@@H](C[C@H](CC(=O)NCc5cccnc5)C4=O)[C@@H]3CCc2cc1O |r|
Show InChI InChI=1S/C28H34N2O3/c1-3-18-11-23-19(13-25(18)31)6-7-22-21(23)8-9-28(2)24(22)12-20(27(28)33)14-26(32)30-16-17-5-4-10-29-15-17/h4-5,10-11,13,15,20-22,24,31H,3,6-9,12,14,16H2,1-2H3,(H,30,32)/t20-,21+,22-,24+,28+/m1/s1
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Article
PubMed
n/an/a 27n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibitory activity against 17 beta hydroxysteroid dehydrogenase type 1 in T47D cells


J Med Chem 48: 2759-62 (2005)


Article DOI: 10.1021/jm049045r
BindingDB Entry DOI: 10.7270/Q2BG2PSW
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))
BDBM50370656
PNG
(CHEMBL1627749)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC(CC(=O)NCc1cccnc1)C2=O
Show InChI InChI=1S/C26H30N2O3/c1-26-9-8-21-20-7-5-19(29)11-17(20)4-6-22(21)23(26)12-18(25(26)31)13-24(30)28-15-16-3-2-10-27-14-16/h2-3,5,7,10-11,14,18,21-23,29H,4,6,8-9,12-13,15H2,1H3,(H,28,30)/t18?,21-,22-,23+,26+/m1/s1
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Article
PubMed
n/an/a 37n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibitory activity against 17 beta hydroxysteroid dehydrogenase type 1 in T47D cells


J Med Chem 48: 2759-62 (2005)


Article DOI: 10.1021/jm049045r
BindingDB Entry DOI: 10.7270/Q2BG2PSW
More data for this
Ligand-Target Pair
17-beta-hydroxysteroid dehydrogenase type 1


(Homo sapiens (Human))
BDBM50370657
PNG
(CHEMBL1627742)
Show SMILES COc1cc2[C@H]3CC[C@@]4(C)[C@@H](CC(CC(=O)NCc5cccnc5)C4=O)[C@@H]3CCc2cc1O
Show InChI InChI=1S/C27H32N2O4/c1-27-8-7-19-20(6-5-17-11-23(30)24(33-2)13-21(17)19)22(27)10-18(26(27)32)12-25(31)29-15-16-4-3-9-28-14-16/h3-4,9,11,13-14,18-20,22,30H,5-8,10,12,15H2,1-2H3,(H,29,31)/t18?,19-,20+,22-,27-/m0/s1
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 290n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibitory activity against 17 beta hydroxysteroid dehydrogenase type 1 in T47D cells


J Med Chem 48: 2759-62 (2005)


Article DOI: 10.1021/jm049045r
BindingDB Entry DOI: 10.7270/Q2BG2PSW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%