BDBM12088 3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 6::N-{5-acetyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl}-3-fluorobenzamide
SMILES: CC(=O)N1Cc2n[nH]c(NC(=O)c3cccc(F)c3)c2C1
InChI Key: InChIKey=OIGXEDXBMLAHJI-UHFFFAOYSA-N
Data: 2 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Aurora kinase A (Homo sapiens (Human)) | BDBM12088 (3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 6...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.85E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences | Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in... | Bioorg Med Chem Lett 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human)) | BDBM12088 (3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 6...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.11E+3 | n/a | n/a | n/a | n/a | 7.4 | 22 |
Nerviano Medical Sciences | Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in... | Bioorg Med Chem Lett 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725 | |||||||||||
More data for this Ligand-Target Pair |