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Target
Cyclin-dependent kinase 4
Ligand
BDBM50192076
Substrate
n/a
Meas. Tech.
ChEMBL_404507 (CHEMBL910890)
IC50
2.3±n/a nM
Citation
 Kawanishi, N; Sugimoto, T; Shibata, J; Nakamura, K; Masutani, K; Ikuta, M; Hirai, H Structure-based drug design of a highly potent CDK1,2,4,6 inhibitor with novel macrocyclic quinoxalin-2-one structure. Bioorg Med Chem Lett 16:5122-6 (2006) [PubMed]  Article 
Target
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
  
Inhibitor
Name:
BDBM50192076
Synonyms:
1-{5-[((S)-5-chloro-indan-2-ylamino)-methyl]-1H-pyrazol-3-yl}-3-((S)-5-oxo-2,3,5,9b-tetrahydro-1H-pyrrolo[2,1-a]isoindol-9-yl)-urea | 1-{5-[(5-Chloro-indan-2-ylamino)-methyl]-1H-pyrazol-3-yl}-3-(5-oxo-2,3,5,9b-tetrahydro-1H-pyrrolo[2,1-a]isoindol-9-yl)-urea | CHEMBL336242
Type:
Small organic molecule
Emp. Form.:
C25H25ClN6O2
Mol. Mass.:
476.958
SMILES:
Clc1ccc2C[C@@H](Cc2c1)NCc1cc(NC(=O)Nc2cccc3C(=O)N4CCC[C@H]4c23)[nH]n1
Structure:
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