BDBM24104 1-[(5R,6R)-5-[3-(4-acetylpiperazin-1-yl)propyl]-12-fluoro-5-phenyl-8-oxa-2,3-diazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,10,12-tetraen-4-yl]ethan-1-one::CHEMBL250125::dihydropyrazolobenzoxazine, 1

SMILES CC(=O)N1CCN(CCC[C@]2([C@@H]3COc4ccc(F)cc4N3N=C2C(C)=O)c2ccccc2)CC1

InChI Key InChIKey=BWKAHABETZLDBG-AHKZPQOWSA-N

Data  4 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 24104   

TargetA disintegrin and metalloproteinase with thrombospondin motifs 5(Homo sapiens (Human))
Merck Research Laboratories

LigandPNGBDBM24104(1-[(5R,6R)-5-[3-(4-acetylpiperazin-1-yl)propyl]-12...)
Affinity DataIC50:  1.60nMpH: 7.0 T: 2°CAssay Description:The kinesin motor domain is incubated with microtubules, 1 mM ATP (1: 1 MgCl2 : Na-ATP), and compound at 23°C in buffer. After reaction was term...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKinesin-like protein KIF11(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM24104(1-[(5R,6R)-5-[3-(4-acetylpiperazin-1-yl)propyl]-12...)
Affinity DataIC50:  1.60nMAssay Description:Inhibition of kinesin spindle proteinMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM24104(1-[(5R,6R)-5-[3-(4-acetylpiperazin-1-yl)propyl]-12...)
Affinity DataIC50:  1.00E+4nMAssay Description:Inhibition of hERG expressed in HEK cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM24104(1-[(5R,6R)-5-[3-(4-acetylpiperazin-1-yl)propyl]-12...)
Affinity DataIC50:  1.00E+4nMpH: 7.4 T: 2°CAssay Description:The hERG IC50 values were determined by radioligand competition experiments using membrane preparations from human embryonic kidney cells that stably...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed