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BDBM9992 (2R,8S,15S)-8-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-one::Hydroxylated 3-Deoxy C19 Steroid 4

SMILES: C[C@]12CCC3C(C[C@H](O)C4=CCCC[C@]34C)C1CCC2=O

InChI Key: InChIKey=UPJODXGWEXHPEK-VOCGGVFENA-N

Data: 1 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 9992   
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
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM9992
PNG
((2R,8S,15S)-8-hydroxy-2,15-dimethyltetracyclo[8.7....)
Show SMILES C[C@]12CCC3C(C[C@H](O)C4=CCCC[C@]34C)C1CCC2=O
Show InChI InChI=1/C19H28O2/c1-18-9-4-3-5-15(18)16(20)11-12-13-6-7-17(21)19(13,2)10-8-14(12)18/h5,12-14,16,20H,3-4,6-11H2,1-2H3/t12?,13?,14?,16-,18+,19-/s2
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MMDB

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PC sid
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Similars

Article
PubMed
21 -10.9 190n/an/an/an/a7.537



Tohoku Pharmaceutical University



Assay Description
The enzyme activity was assayed by measuring the 3H-labeled H2O formed from [1beta-3H] Androstenedione during aromatization. After incubation, the re...


J Med Chem 44: 4277-83 (2001)


Article DOI: 10.1021/jm010282t
BindingDB Entry DOI: 10.7270/Q2SB43ZH
More data for this
Ligand-Target Pair