BDBM8077 2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8h::4-{2-[(4-fluorophenyl)amino]pyrimidin-4-yl}-3,5-dimethyl-1H-pyrrole-2-carbonitrile
SMILES: Cc1[nH]c(C#N)c(C)c1-c1ccnc(Nc2ccc(F)cc2)n1
InChI Key: InChIKey=KGJPVADNXHHEQY-UHFFFAOYSA-N
Data: 2 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human)) | BDBM8077 (2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8h ...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 100 | -9.70 | n/a | n/a | n/a | n/a | n/a | 7.4 | 30 |
Cyclacel Limited | Assay Description In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P... | Bioorg Med Chem Lett 14: 4237-40 (2004) Article DOI: 10.1016/j.bmcl.2004.06.012 BindingDB Entry DOI: 10.7270/Q2CJ8BPP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human)) | BDBM8077 (2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8h ...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 900 | -8.38 | n/a | n/a | n/a | n/a | n/a | n/a | 30 |
Cyclacel Limited | Assay Description In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P... | Bioorg Med Chem Lett 14: 4237-40 (2004) Article DOI: 10.1016/j.bmcl.2004.06.012 BindingDB Entry DOI: 10.7270/Q2CJ8BPP | |||||||||||
More data for this Ligand-Target Pair |