Reaction Details Report a problem with these data
Target
Cyclin-dependent kinase 2/G1/S-specific cyclin-D1
Ligand
BDBM50597426
Substrate
n/a
Meas. Tech.
ChEMBL_2223338 (CHEMBL5136672)
IC50
940±n/a nM
Citation
 Jorda, R; Havlí?ek, L; Pe?ina, M; Vojá?ková, V; Pospí?il, T; Djukic, S; ?kerlová, J; Grúz, J; Rene?ová, N; Klener, P; ?ezá?ová, P; Strnad, M; Kry?tof, V 3,5,7-Substituted Pyrazolo[4,3- J Med Chem 65:8881-8896 (2022) [PubMed] 
Target
Name:
Cyclin-dependent kinase 2/G1/S-specific cyclin-D1
Synonyms:
n/a
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 2223338
Components:
This complex has 2 components.
Component 1
Name:
G1/S-specific cyclin-D1
Synonyms:
B-cell lymphoma 1 protein | BCL-1 | BCL-1 oncogene | BCL1 | CCND1 | CCND1_HUMAN | PRAD1 | PRAD1 oncogene
Type:
Enzyme Subunit
Mol. Mass.:
33717.70
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
295
Sequence:
MEHQLLCCEVETIRRAYPDANLLNDRVLRAMLKAEETCAPSVSYFKCVQKEVLPSMRKIVATWMLEVCEEQKCEEEVFPLAMNYLDRFLSLEPVKKSRLQLLGATCMFVASKMKETIPLTAEKLCIYTDNSIRPEELLQMELLLVNKLKWNLAAMTPHDFIEHFLSKMPEAEENKQIIRKHAQTFVALCATDVKFISNPPSMVAAGSVVAAVQGLNLRSPNNFLSYYRLTRFLSRVIKCDPDCLRACQEQIEALLESSLRQAQQNMDPKAAEEEEEEEEEVDLACTPTDVRDVDI
  
Component 2
Name:
Cyclin-dependent kinase 2
Synonyms:
CDK2 | CDK2-Kinase | CDK2_HUMAN | CDKN2 | Cell division protein kinase 2 | Cyclin-dependent kinase 2 (CDK2) | Protein cereblon/Cyclin-dependent kinase 2 | p33 protein kinase
Type:
Enzyme Subunit
Mol. Mass.:
33938.17
Organism:
Homo sapiens (Human)
Description:
P24941
Residue:
298
Sequence:
MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL
  
Inhibitor
Name:
BDBM50597426
Synonyms:
CHEMBL5169449
Type:
Small organic molecule
Emp. Form.:
C23H25N7S
Mol. Mass.:
431.557
SMILES:
NCCSc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C3CCC3)c2n1
Structure:
Search PDB for entries with ligand similarity: