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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 11 entry = 50046944   
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))
BDBM50110183
PNG
(Abemaciclib | LY-2835219 | US10626107, Example LY2...)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
Show InChI InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)
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n/an/a 5n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) using RPPTLSPIPHIPR peptide as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM50139171
PNG
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|
Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
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PC cid
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UniChem
Article
PubMed
n/an/a 127n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) using RPPTLSPIPHIPR peptide as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM50013510
PNG
(CHEMBL3263773)
Show SMILES COc1ccccc1-c1cc(Nc2cccc(CS(N)(=O)=O)c2)ncn1
Show InChI InChI=1S/C18H18N4O3S/c1-25-17-8-3-2-7-15(17)16-10-18(21-12-20-16)22-14-6-4-5-13(9-14)11-26(19,23)24/h2-10,12H,11H2,1H3,(H2,19,23,24)(H,20,21,22)
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n/an/a 3.16E+3n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) using RPPTLSPIPHIPR peptide as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM50139169
PNG
(CHEMBL3763161)
Show SMILES C(Cc1c[nH]c2ncccc12)Cn1nncc1-c1cc2cccnc2[nH]1
Show InChI InChI=1S/C19H17N7/c1-4-13-10-16(24-18(13)20-7-1)17-12-23-25-26(17)9-3-5-14-11-22-19-15(14)6-2-8-21-19/h1-2,4,6-8,10-12H,3,5,9H2,(H,20,24)(H,21,22)
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n/an/a 9.00E+3n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) using RPPTLSPIPHIPR peptide as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM50347389
PNG
(CHEMBL1801932)
Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12
Show InChI InChI=1S/C22H32N6/c1-17(2)19-16-26-28-21(25-15-18-10-6-5-7-11-18)14-20(27-22(19)28)24-13-9-4-3-8-12-23/h5-7,10-11,14,16-17,25H,3-4,8-9,12-13,15,23H2,1-2H3,(H,24,27)
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Article
PubMed
n/an/a 4.47E+4n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) using RPPTLSPIPHIPR peptide as substrate in presence of [gamma-33P]ATP


Eur J Med Chem 108: 701-19 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.023
BindingDB Entry DOI: 10.7270/Q22J6DQD
More data for this
Ligand-Target Pair