BDBM10098 (3Z)-4-(4-amino-3-hydroxybut-1-yn-1-yl)-5-fluoro-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2,3-dihydro-1H-indol-2-one::4-alkynyl oxindole 7d
SMILES: COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(F)c(C#CC(O)CN)c12
InChI Key: InChIKey=KAJOBXDSMROSCM-WQLSENKSSA-N
Data: 1 IC50
PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
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/CycE (Homo sapiens (Human)) | BDBM10098 ((3Z)-4-(4-amino-3-hydroxybut-1-yn-1-yl)-5-fluoro-3...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4 | 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 14: 913-7 (2004) Article DOI: 10.1016/j.bmcl.2003.12.009 BindingDB Entry DOI: 10.7270/Q20V8B1V | |||||||||||
More data for this Ligand-Target Pair |