Reaction Details  Report a problem with these data
Target
Cyclin-dependent kinase 4
Ligand
BDBM112469
Substrate
n/a
Meas. Tech.
Kinase Assay
pH
7.4±n/a
IC50
10.5±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:
BDBM112469
Synonyms:
US8623885, 10
Type:
Small organic molecule
Emp. Form.:
C27H33N7O
Mol. Mass.:
471.5972
SMILES:
COCCN1CCc2nc(Nc3ncc4c5ccncc5n([C@H]5CC[C@H](C)CC5)c4n3)ccc2C1 |r,wU:22.22,wD:25.26,(-1.6,-9.11,;-2.93,-8.34,;-2.93,-6.8,;-4.26,-6.03,;-4.26,-4.49,;-5.6,-3.72,;-5.6,-2.18,;-4.26,-1.41,;-4.26,.13,;-2.93,.9,;-2.93,2.44,;-1.6,3.21,;-1.6,4.75,;-.26,5.52,;1.07,4.75,;2.53,5.23,;3.16,6.64,;4.69,6.8,;5.6,5.55,;4.97,4.14,;3.44,3.98,;2.53,2.74,;2.93,1.25,;4.42,.85,;4.82,-.64,;3.73,-1.73,;4.13,-3.21,;2.24,-1.33,;1.84,.16,;1.07,3.21,;-.26,2.44,;-1.6,.13,;-1.6,-1.41,;-2.93,-2.18,;-2.93,-3.72,)|
Structure:
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