BDBM50270588 4-METHYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-AMINE::CHEMBL504181::HSP90 Inhibitor, 2::hsp90_172

SMILES Cc1cc(nc(N)n1)C(F)(F)F

InChI Key InChIKey=CNTCLEOUAMWZGS-UHFFFAOYSA-N

Data  1 KI  1 IC50  3 Kd

PDB links: 1 PDB ID matches this monomer.

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50270588   

TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM50270588(4-METHYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-AMINE | CH...)
Affinity DataKi:  1.80E+4nM ΔG°:  -6.47kcal/molepH: 7.5 T: 2°CAssay Description:HSP90 inhibitors identified using Fluorescence resonance energy transfer assay.More data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50270588(4-METHYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-AMINE | CH...)
Affinity DataKd:  2.00E+4nMAssay Description:Binding affinity to N-terminal human HSP90 (D9 to E236 residues) expressed in Escherichia coli BL21(DE3) by 1H-13C HSQC-NMR spectroscopyMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50270588(4-METHYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-AMINE | CH...)
Affinity DataKd:  2.00E+4nMAssay Description:Binding affinity to HSP90More data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM50270588(4-METHYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-AMINE | CH...)
Affinity DataKd:  2.00E+4nMpH: 7.5 T: 2°CAssay Description:HSP90 inhibitors identified using NMR fragment-based screening assay.More data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50270588(4-METHYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-AMINE | CH...)
Affinity DataIC50:  1.83E+4nMAssay Description:FRET Assay 1More data for this Ligand-Target Pair