BDBM50318095 1-Methyl-8-{[3-(trifluoromethyl)phenyl]amino}-4,5-dihydro-1Hpyrazolo[4,3-h]quinazoline-3-carboxamide::CHEMBL1097424
SMILES: Cn1nc(C(N)=O)c2CCc3cnc(Nc4cccc(c4)C(F)(F)F)nc3-c12
InChI Key: InChIKey=AHUQZOZSCWOMOS-UHFFFAOYSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
CDK2/Cyclin A/Cyclin A1 (Homo sapiens (Human)) | BDBM50318095 (1-Methyl-8-{[3-(trifluoromethyl)phenyl]amino}-4,5-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl Curated by ChEMBL | Assay Description Inhibition of CDK2/Cyclin A assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting | J Med Chem 53: 3532-51 (2010) Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aurora kinase A (Homo sapiens (Human)) | BDBM50318095 (1-Methyl-8-{[3-(trifluoromethyl)phenyl]amino}-4,5-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl Curated by ChEMBL | Assay Description Inhibition of Aurora A assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting | J Med Chem 53: 3532-51 (2010) Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human)) | BDBM50318095 (1-Methyl-8-{[3-(trifluoromethyl)phenyl]amino}-4,5-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl Curated by ChEMBL | Assay Description Inhibition of GST-tagged PLK1 expressed in H5 insect cells assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by gamma counting | J Med Chem 53: 3532-51 (2010) Article DOI: 10.1021/jm901713n BindingDB Entry DOI: 10.7270/Q2RF5V5D | |||||||||||
More data for this Ligand-Target Pair |