Reaction Details  Report a problem with these data
Target
Cyclin-dependent kinase 4
Ligand
BDBM112465
Substrate
n/a
Meas. Tech.
Kinase Assay
pH
7.4±n/a
IC50
120±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:
BDBM112465
Synonyms:
US8623885, 6
Type:
Small organic molecule
Emp. Form.:
C26H27N7O3
Mol. Mass.:
485.5377
SMILES:
C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc4CN(CCc4n3)C(=O)C(O)=O)nc12 |r,wU:4.7,wD:1.0,(4.13,-2.44,;3.73,-.96,;4.82,.13,;4.42,1.62,;2.93,2.02,;1.84,.93,;2.24,-.56,;2.53,3.51,;3.44,4.75,;4.97,4.91,;5.6,6.32,;4.69,7.57,;3.16,7.41,;2.53,6,;1.07,5.52,;-.26,6.29,;-1.6,5.52,;-1.6,3.98,;-2.93,3.21,;-2.93,1.67,;-1.6,.9,;-1.6,-.64,;-2.93,-1.41,;-2.93,-2.95,;-4.26,-3.72,;-5.6,-2.95,;-5.6,-1.41,;-4.26,-.64,;-4.26,.9,;-4.26,-5.26,;-5.6,-6.03,;-2.93,-6.03,;-1.6,-5.26,;-2.93,-7.57,;-.26,3.21,;1.07,3.98,)|
Structure:
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