BDBM17290 E2-adenosine hybrid compound, 8::EM-1745::EM1745::[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 9-[(1S,10R,11S,14S,15S)-5,14-dihydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-trien-13-yl]nonanoate

SMILES [H][C@@]12CC(CCCCCCCCC(=O)OCC3OC(C(O)C3O)n3cnc4c(N)ncnc34)[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]

InChI Key InChIKey=CKSDYJASHNGOOS-BOGYFGANSA-N

Data  1 KI  1 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 17290   

Target17-beta-hydroxysteroid dehydrogenase type 1(Homo sapiens (Human))
Chul

LigandPNGBDBM17290(E2-adenosine hybrid compound, 8 | EM-1745 | EM1745...)
Affinity DataKi:  3nM ΔG°:  -12.1kcal/molepH: 7.5 T: 2°CAssay Description:For steady-state kinetic study of hybrid inhibitors, a Fluorolog 3 instrument was used to monitor the fluorescent signal of NADPH formed during estra...More data for this Ligand-Target Pair
Target17-beta-hydroxysteroid dehydrogenase type 1(Homo sapiens (Human))
Chul

LigandPNGBDBM17290(E2-adenosine hybrid compound, 8 | EM-1745 | EM1745...)
Affinity DataIC50:  52nMpH: 7.4 T: 2°CAssay Description:The enzymatic reaction was performed in the reaction buffer containing substrate, [14C]-estrone, and the test inhibitors. After the reaction, radiola...More data for this Ligand-Target Pair