BDBM8060 2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 31::4-methyl-5-{2-[(3-nitrophenyl)amino]pyrimidin-4-yl}-N-(prop-2-en-1-yl)-1,3-thiazol-2-amine::[4-(2-Allylamino-4-methylthiazol-5-yl)pyrimidin-2-yl]-(3-nitrophenyl)amine
SMILES: Cc1nc(NCC=C)sc1-c1ccnc(Nc2cccc(c2)N(=O)=O)n1
InChI Key: InChIKey=QHFPQUQWXGDVKK-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
CDK2/CycE (Homo sapiens (Human)) | BDBM8060 (2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 31 | 4...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 160 | -9.42 | 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... | J Med Chem 47: 1662-75 (2004) Article DOI: 10.1021/jm0309957 BindingDB Entry DOI: 10.7270/Q2H993DD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human)) | BDBM8060 (2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 31 | 4...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 7.10E+3 | -7.14 | 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... | J Med Chem 47: 1662-75 (2004) Article DOI: 10.1021/jm0309957 BindingDB Entry DOI: 10.7270/Q2H993DD | |||||||||||
More data for this Ligand-Target Pair |