BDBM8050 2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 21::3-[4-(2,4-Dimethylthiazol-5-yl)pyrimidin-2-ylamino]-phenol::3-{[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino}phenol
SMILES: Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(O)c2)n1
InChI Key: InChIKey=JJDRRZFRTKZLFT-UHFFFAOYSA-N
Data: 2 KI
PDB links: 1 PDB ID matches this monomer. 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)) | BDBM8050 (2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 21 | 3...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 60 | -10.0 | 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... | 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 | 3D Structure (crystal) | ||||||||||||
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human)) | BDBM8050 (2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 21 | 3...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 210 | -9.26 | 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 |