Reaction Details Report a problem with these data
Target
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
Ligand
BDBM444569
Substrate
n/a
Meas. Tech.
ChEMBL_1806445 (CHEMBL4305804)
IC50
1.8±n/a nM
Citation
 Shi, C; Wang, Q; Liao, X; Ge, H; Huo, G; Zhang, L; Chen, N; Zhai, X; Hong, Y; Wang, L; Han, Y; Xiao, W; Wang, Z; Shi, W; Mao, Y; Yu, J; Xia, G; Liu, Y Discovery of 6-(2-(dimethylamino)ethyl)-N-(5-fluoro-4-(4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazole-6-yl)pyrimidin-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2-amine as a highly potent cyclin-dependent kinase 4/6 inhibitor for treatment of cancer. Eur J Med Chem 178:352-364 (2019) [PubMed]  Article 
Target
Name:
Cyclin-dependent kinase 4/G1/S-specific cyclin-D3
Synonyms:
CDK4/Cyclin D3
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 1806445
Components:
This complex has 2 components.
Component 1
Name:
Cyclin-dependent kinase 4
Synonyms:
CDK4 | CDK4_HUMAN | Cell division protein kinase 4 | Cyclin-dependent kinase 4 (CDK 4) | PSK-J3
Type:
Enzyme Subunit
Mol. Mass.:
33731.96
Organism:
Homo sapiens (Human)
Description:
P11802
Residue:
303
Sequence:
MATSRYEPVAEIGVGAYGTVYKARDPHSGHFVALKSVRVPNGGGGGGGLPISTVREVALLRRLEAFEHPNVVRLMDVCATSRTDREIKVTLVFEHVDQDLRTYLDKAPPPGLPAETIKDLMRQFLRGLDFLHANCIVHRDLKPENILVTSGGTVKLADFGLARIYSYQMALTPVVVTLWYRAPEVLLQSTYATPVDMWSVGCIFAEMFRRKPLFCGNSEADQLGKIFDLIGLPPEDDWPRDVSLPRGAFPPRGPRPVQSVVPEMEESGAQLLLEMLTFNPHKRISAFRALQHSYLHKDEGNPE
  
Component 2
Name:
G1/S-specific cyclin-D3
Synonyms:
CCND3 | CCND3_HUMAN
Type:
Enzyme
Mol. Mass.:
32521.90
Organism:
Homo sapiens (Human)
Description:
P30281
Residue:
292
Sequence:
MELLCCEGTRHAPRAGPDPRLLGDQRVLQSLLRLEERYVPRASYFQCVQREIKPHMRKMLAYWMLEVCEEQRCEEEVFPLAMNYLDRYLSCVPTRKAQLQLLGAVCMLLASKLRETTPLTIEKLCIYTDHAVSPRQLRDWEVLVLGKLKWDLAAVIAHDFLAFILHRLSLPRDRQALVKKHAQTFLALCATDYTFAMYPPSMIATGSIGAAVQGLGACSMSGDELTELLAGITGTEVDCLRACQEQIEAALRESLREASQTSSSPAPKAPRGSSSQGPSQTSTPTDVTAIHL
  
Inhibitor
Name:
BDBM444569
Synonyms:
US10662186, Compound 88 | US10988476, Compound I-88
Type:
Small organic molecule
Emp. Form.:
C28H32F2N8
Mol. Mass.:
518.6041
SMILES:
CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C3(C)CC3)ccc2C1
Structure:
Search PDB for entries with ligand similarity: