Reaction Details  Report a problem with these data
Target
Cyclin-dependent kinase 4
Ligand
BDBM112497
Substrate
n/a
Meas. Tech.
Kinase Assay
pH
7.4±n/a
IC50
463±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:
BDBM112497
Synonyms:
US8623885, 18b
Type:
Small orgnaic molecules
Emp. Form.:
C27H31N7O
Mol. Mass.:
469.5813
SMILES:
C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc4CN(C[C@H](C)c4n3)C(C)=O)nc12 |r,wU:4.7,wD:1.0,26.28,(4.8,-11.87,;4.4,-10.38,;5.49,-9.29,;5.09,-7.81,;3.6,-7.41,;2.51,-8.5,;2.91,-9.98,;3.2,-5.92,;4.11,-4.67,;5.64,-4.51,;6.26,-3.11,;5.36,-1.86,;3.83,-2.02,;3.2,-3.43,;1.74,-3.9,;.4,-3.13,;-.93,-3.9,;-.93,-5.44,;-2.26,-6.21,;-2.26,-7.75,;-.93,-8.52,;-.93,-10.06,;-2.26,-10.83,;-2.26,-12.37,;-3.6,-13.14,;-4.93,-12.37,;-4.93,-10.83,;-6.26,-10.06,;-3.6,-10.06,;-3.6,-8.52,;-3.6,-14.68,;-2.26,-15.45,;-4.93,-15.45,;.4,-6.21,;1.74,-5.44,)|
Structure:
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