BDBM2580 K252a::methyl (15R,16S,18S)-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1^{15,18}.0^{2,6}.0^{7,27}.0^{8,13}.0^{19,26}.0^{20,25}]octacosa-1(26),2(6),7(27),8(13),9,11,20(25),21,23-nonaene-16-carboxylate

SMILES COC(=O)[C@]1(O)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13

InChI Key InChIKey=KOZFSFOOLUUIGY-CYBHFKQVSA-N

Data  2 KI  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 2580   

TargetCalcium/calmodulin-dependent protein kinase kinase 2(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM2580(K252a | methyl (15R,16S,18S)-16-hydroxy-15-methyl-...)
Affinity DataKi:  1.80nMAssay Description:Inhibition of CaM-KKbetaChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMyosin light chain kinase, smooth muscle(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM2580(K252a | methyl (15R,16S,18S)-16-hydroxy-15-methyl-...)
Affinity DataKi:  17nMAssay Description:Inhibition of human myosin light chain kinaseChecked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed