Reaction Details  Report a problem with these data
Target
Cyclin-dependent kinase 4
Ligand
BDBM112477
Substrate
n/a
Meas. Tech.
Kinase Assay
pH
7.4±n/a
IC50
18.8±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:
BDBM112477
Synonyms:
US8623885, 18a
Type:
Small organic molecule
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:4.7,26.28,wD:1.0,(4.8,5.44,;4.4,6.93,;5.49,8.02,;5.09,9.51,;3.6,9.91,;2.51,8.82,;2.91,7.33,;3.2,11.39,;4.11,12.64,;5.64,12.8,;6.26,14.21,;5.36,15.45,;3.83,15.29,;3.2,13.89,;1.74,13.41,;.4,14.18,;-.93,13.41,;-.93,11.87,;-2.26,11.1,;-2.26,9.56,;-.93,8.79,;-.93,7.25,;-2.26,6.48,;-2.26,4.94,;-3.6,4.17,;-4.93,4.94,;-4.93,6.48,;-6.26,7.25,;-3.6,7.25,;-3.6,8.79,;-3.6,2.63,;-2.26,1.86,;-4.93,1.86,;.4,11.1,;1.74,11.87,)|
Structure:
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