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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 6/G1/S-specific cyclin-D1' and Ligand = 'BDBM467012'   
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 6/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM467012
PNG
((+)-6-(2,2-difluoroethyl)-8-[(1R*,2R*)-2-hydroxy-2...)
Show SMILES C[C@]1(O)CCC[C@@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(CC(F)F)c1=O |r|
Show InChI InChI=1S/C21H29F2N5O4S/c1-21(30)7-3-4-16(21)28-18-14(10-13(19(28)29)11-17(22)23)12-24-20(26-18)25-15-5-8-27(9-6-15)33(2,31)32/h10,12,15-17,30H,3-9,11H2,1-2H3,(H,24,25,26)/t16-,21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.130n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of non-phosphorylated CDK6/Cyclin D1 (unknown origin) assessed as reduction in production of ADP using 5-FAM-RRRFRPASPLRGPPK peptide as su...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00017
BindingDB Entry DOI: 10.7270/Q2GF0Z4T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1


(Homo sapiens (Human)-Mus musculus (mouse))
BDBM467012
PNG
((+)-6-(2,2-difluoroethyl)-8-[(1R*,2R*)-2-hydroxy-2...)
Show SMILES C[C@]1(O)CCC[C@@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(CC(F)F)c1=O |r|
Show InChI InChI=1S/C21H29F2N5O4S/c1-21(30)7-3-4-16(21)28-18-14(10-13(19(28)29)11-17(22)23)12-24-20(26-18)25-15-5-8-27(9-6-15)33(2,31)32/h10,12,15-17,30H,3-9,11H2,1-2H3,(H,24,25,26)/t16-,21-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.04n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The purpose of the CDK6/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...


US Patent US10800783 (2020)


BindingDB Entry DOI: 10.7270/Q24X5BVD
More data for this
Ligand-Target Pair