null
SMILES c1n[nH]c2ccccc12
InChI Key InChIKey=BAXOFTOLAUCFNW-UHFFFAOYSA-N
PDB links: 9 PDB IDs match this monomer. 45 PDB IDs contain this monomer as substructures. 45 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 9 hits for monomerid = 24627
Affinity DataIC50: 1.85E+5nMpH: 7.2 T: 2°CAssay Description:CDK2/cyclin A activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1....More data for this Ligand-Target Pair
Affinity DataKd: 1.00E+6nMAssay Description:The thermal-shift denaturation assay was performed on an iCycler iQ Real Time Detection System (BioRad) in 96-well iCycler iQ PCR plates sealed with ...More data for this Ligand-Target Pair
TargetCyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
Eli Lilly and Company
Curated by ChEMBL
Eli Lilly and Company
Curated by ChEMBL
Affinity DataIC50: 1.85E+5nMAssay Description:Inhibition of CDK2/cyclin A (unknown origin) by radiometric filter binding assayMore data for this Ligand-Target Pair
Affinity DataIC50: 1.78E+5nMAssay Description:Inhibition of recombinant NOS1 assessed as citrulline formationMore data for this Ligand-Target Pair
Affinity DataKd: 3.60E+5nMAssay Description:Binding affinity to recombinant ferric state of IDO1 (unknown origin) expressed in Escherichia coli assessed as dissociation constant incubated for 3...More data for this Ligand-Target Pair
Affinity DataIC50: 1.85E+5nMAssay Description:Inhibition of CDK2More data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
Chugai Pharmaceutical Co., Ltd
Curated by ChEMBL
Affinity DataKd: 5.30E+3nMAssay Description:Binding affinity to human HSP90alpha assessed as 2D1H-15N chemical shift perturbation by NMR spectroscopyChecked by AuthorMore data for this Ligand-Target Pair
Affinity DataKd: 8.10E+4nMAssay Description:Binding affinity to recombinant ferrous state of IDO1 (unknown origin) expressed in Escherichia coli assessed as dissociation constant incubated for ...More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
GlaxoSmithKline R&D
Curated by ChEMBL
GlaxoSmithKline R&D
Curated by ChEMBL
Affinity DataIC50: 4.00E+5nMAssay Description:Inhibition of AKT1 expressed in Escherichia coli or baculovirus-infected insect cells by scintillation proximity assayMore data for this Ligand-Target Pair