BDBM50102247 16-hydroxymethyl-(15R,16R,18S)-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1(26),2(6),7(27),8(13),9,11,20(25),21,23-nonaene-3,5-dione::16-hydroxymethyl-(15R,16R,18S)-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8(13),9,11,20(25),21,23,26-nonaene-3,5-dione::CHEMBL291126::SCH-47112

SMILES OC[C@H]1C[C@@H]2O[C@H]1n1c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n2c4c13

InChI Key InChIKey=NVSJOASGKCGXBZ-PMMKVRKUSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50102247   

LigandPNGBDBM50102247(16-hydroxymethyl-(15R,16R,18S)-28-oxa-4,14,19-tria...)
Affinity DataIC50:  250nMAssay Description:Inhibition of neu (erb-B2) HER2 kinaseMore data for this Ligand-Target Pair
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