Reaction Details  Report a problem with these data
Target
Cyclin-dependent kinase 4
Ligand
BDBM112475
Substrate
n/a
Meas. Tech.
Kinase Assay
pH
7.4±n/a
IC50
16.5±n/a nM
Citation
 Chen, X; Dai, K; Duquette, J; Gribble, Jr., MW; Huard, JN; Keegan, KS; Li, Z; Lively, SE; McGee, LR; Ragains, ML; Wang, X; Weidner, MF; Zhang, J Fused tricyclic dual inhibitors of CDK 4/6 and FLT3 US Patent  US8623885 Publication Date 1/7/2014
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:
BDBM112475
Synonyms:
US8623885, 16
Type:
Small organic molecule
Emp. Form.:
C24H27N7O
Mol. Mass.:
429.5175
SMILES:
C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc4CNCC(O)c4n3)nc12 |r,w:26.28,wU:4.7,wD:1.0,(4.8,-4.37,;4.4,-2.88,;5.49,-1.79,;5.09,-.3,;3.6,.09,;2.51,-.99,;2.91,-2.48,;3.2,1.58,;4.11,2.83,;5.64,2.99,;6.26,4.4,;5.36,5.64,;3.83,5.48,;3.2,4.07,;1.74,3.6,;.4,4.37,;-.93,3.6,;-.93,2.06,;-2.26,1.29,;-2.26,-.25,;-.93,-1.02,;-.93,-2.56,;-2.26,-3.33,;-2.26,-4.87,;-3.6,-5.64,;-4.93,-4.87,;-4.93,-3.33,;-6.26,-2.56,;-3.6,-2.56,;-3.6,-1.02,;.4,1.29,;1.74,2.06,)|
Structure:
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