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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '3-beta-hydroxysteroid dehydrogenase/delta 5-->4-isomerase type I' and Ligand = 'BDBM50057504'   
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
3-beta-hydroxysteroid dehydrogenase/delta 5-->4-isomerase type I


(Homo sapiens (Human))
BDBM50057504
PNG
((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...)
Show SMILES CC(C)(C)CCNC(=O)[C@H]1CCC2C3CN=C4CC(=O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C25H40N2O2/c1-23(2,3)12-13-26-22(29)20-7-6-18-17-15-27-21-14-16(28)8-10-25(21,5)19(17)9-11-24(18,20)4/h17-20H,6-15H2,1-5H3,(H,26,29)/t17?,18?,19?,20-,24+,25-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 8.30n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity on 3 beta-hydroxysteroid dehydrogenase


J Med Chem 40: 1293-315 (1997)


Article DOI: 10.1021/jm960697s
BindingDB Entry DOI: 10.7270/Q2W096MN
More data for this
Ligand-Target Pair