Reaction Details  Report a problem with these data
Target
Cyclin-dependent kinase 4
Ligand
BDBM112471
Substrate
n/a
Meas. Tech.
Kinase Assay
pH
7.4±n/a
IC50
18.4±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:
BDBM112471
Synonyms:
US8623885, 12
Type:
Small organic molecule
Emp. Form.:
C26H31N7O
Mol. Mass.:
457.5706
SMILES:
C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3cc4CN(CCO)CCc4cn3)nc12 |r,wU:4.7,wD:1.0,(3.46,-3.21,;3.06,-1.73,;4.15,-.64,;3.75,.85,;2.27,1.25,;1.18,.16,;1.58,-1.33,;1.87,2.74,;2.77,3.98,;4.3,4.14,;4.93,5.55,;4.03,6.8,;2.49,6.64,;1.87,5.23,;.4,4.75,;-.93,5.52,;-2.26,4.75,;-2.26,3.21,;-3.6,2.44,;-3.6,.9,;-2.26,.13,;-2.26,-1.41,;-.93,-2.18,;-.93,-3.72,;.4,-4.49,;.4,-6.03,;1.74,-6.8,;-2.26,-4.49,;-3.6,-3.72,;-3.6,-2.18,;-4.93,-1.41,;-4.93,.13,;-.93,2.44,;.4,3.21,)|
Structure:
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