BDBM10122 7-[(2-aminoethyl)amino]-9-fluoro-5-(1H-pyrrol-2-yl)-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4,6,8(12),9-pentaen-3-one::trisubstituted naphthostyril analogue 7b
SMILES: NCCNc1cc(-c2ccc[nH]2)c2C(=O)Nc3ccc(F)c1c23
InChI Key: InChIKey=CQCXWWWNUFQYJS-UHFFFAOYSA-N
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 |
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CDK2/CycE (Homo sapiens (Human)) | BDBM10122![]() (7-[(2-aminoethyl)amino]-9-fluoro-5-(1H-pyrrol-2-yl...) | PDB UniProtKB/SwissProt GoogleScholar | DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 12 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Hoffmann-La Roche Inc. | Assay Description Kinase assays were performed using a recombinant human cyclin E-CDK2 complex. The enzyme was assayed with substrate in the presence of 1uM ATP/[gamma... | Bioorg Med Chem Lett 13: 2465-8 (2003) Article DOI: 10.1016/j.bmc.2006.10.050 BindingDB Entry DOI: 10.7270/Q2W37TJG | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) |