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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 4/G1/S-specific cyclin-D1' and Ligand = 'BDBM462146'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM462146
PNG
(US10766884, Example A62 | US11220494, Example A62)
Show SMILES C[C@@H](O)c1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl |r|
Show InChI InChI=1S/C23H30ClFN6O4S/c1-12(32)21-28-20-15(25)8-13(9-17(20)31(21)23(2,3)4)19-14(24)10-26-22(29-19)27-16-6-7-30(11-18(16)33)36(5,34)35/h8-10,12,16,18,32-33H,6-7,11H2,1-5H3,(H,26,27,29)/t12-,16-,18-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XG9V9M
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM462146
PNG
(US10766884, Example A62 | US11220494, Example A62)
Show SMILES C[C@@H](O)c1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(N[C@@H]2CCN(C[C@H]2O)S(C)(=O)=O)ncc1Cl |r|
Show InChI InChI=1S/C23H30ClFN6O4S/c1-12(32)21-28-20-15(25)8-13(9-17(20)31(21)23(2,3)4)19-14(24)10-26-22(29-19)27-16-6-7-30(11-18(16)33)36(5,34)35/h8-10,12,16,18,32-33H,6-7,11H2,1-5H3,(H,26,27,29)/t12-,16-,18-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
CDK4/Cyclin D1: The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule ...


US Patent US10766884 (2020)


BindingDB Entry DOI: 10.7270/Q23F4SQG
More data for this
Ligand-Target Pair