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BDBM9970 (8R)-8-methoxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-one::6-Substituted Androst-4-ene Analog 5c

SMILES: CO[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12

InChI Key: InChIKey=BBWNGNWLDMFXAW-WJDGRSQVSA-N

Data: 1 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 9970   
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))
BDBM9970
PNG
((8R)-8-methoxy-2,15-dimethyltetracyclo[8.7.0.0^{2,...)
Show SMILES CO[C@@H]1CC2C3CCC(=O)C3(C)CCC2C2(C)CCCC=C12 |r,t:22|
Show InChI InChI=1S/C20H30O2/c1-19-10-5-4-6-16(19)17(22-3)12-13-14-7-8-18(21)20(14,2)11-9-15(13)19/h6,13-15,17H,4-5,7-12H2,1-3H3/t13?,14?,15?,17-,19?,20?/m1/s1
PDB
MMDB

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PC cid
PC sid
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Article
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12n/a 130n/an/an/an/an/an/a



Tohoku College of Pharmacy



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 39: 2245-52 (1996)


Article DOI: 10.1021/jm960047o
BindingDB Entry DOI: 10.7270/Q2X34VPV
More data for this
Ligand-Target Pair