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Compile Data Set for Download or QSAR

Found 371 hits with Last Name = 'mcginnis' and Initial = 'jp'   
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


(Homo sapiens (Human))		BDBM50267899
PNG
((4Z)-6-(3-Furyl)-4-{[(3-hydroxy-4-methoxybenzyl)am...)
Show SMILES COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccoc2)cc1O |w:8.7|
Show InChI InChI=1S/C22H18N2O5/c1-28-20-5-2-13(8-19(20)25)10-23-11-18-17-9-14(15-6-7-29-12-15)3-4-16(17)21(26)24-22(18)27/h2-9,11-12,23,25H,10H2,1H3,(H,24,26,27)
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n/an/a 2n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation

J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50267898
PNG
((4Z)-4-{[(3-Hydroxy-4-methoxybenzyl)amino]methylen...)
Show SMILES COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccsc2)cc1O |w:8.7|
Show InChI InChI=1S/C22H18N2O4S/c1-28-20-5-2-13(8-19(20)25)10-23-11-18-17-9-14(15-6-7-29-12-15)3-4-16(17)21(26)24-22(18)27/h2-9,11-12,23,25H,10H2,1H3,(H,24,26,27)
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n/an/a 2n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation

J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50267867
PNG
((4Z)-4-{[(3-hydroxy-4-methoxybenzyl)amino]methylen...)
Show SMILES COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(cc23)-n2cccc2)cc1O |w:8.7|
Show InChI InChI=1S/C22H19N3O4/c1-29-20-7-4-14(10-19(20)26)12-23-13-18-17-11-15(25-8-2-3-9-25)5-6-16(17)21(27)24-22(18)28/h2-11,13,23,26H,12H2,1H3,(H,24,27,28)
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n/an/a 4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation

J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50267540
PNG
(6-Cyclopentyl-4-{[(5-furan-3-yl-4-hydroxy-pyridin-...)
Show SMILES Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(cc23)C2CCCC2)ncc1-c1ccoc1 |w:6.5|
Show InChI InChI=1S/C25H23N3O4/c29-23-10-18(27-13-21(23)17-7-8-32-14-17)11-26-12-22-20-9-16(15-3-1-2-4-15)5-6-19(20)24(30)28-25(22)31/h5-10,12-15,26H,1-4,11H2,(H,27,29)(H,28,30,31)
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n/an/a<5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation

J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50267482
PNG
(6-Cyclopentyl-4-{[(4-hydroxy-5-propoxy-pyridin-2-y...)
Show SMILES CCCOc1cnc(CNC=C2C(=O)NC(=O)c3ccc(cc23)C2CCCC2)cc1O |w:10.9|
Show InChI InChI=1S/C24H27N3O4/c1-2-9-31-22-14-26-17(11-21(22)28)12-25-13-20-19-10-16(15-5-3-4-6-15)7-8-18(19)23(29)27-24(20)30/h7-8,10-11,13-15,25H,2-6,9,12H2,1H3,(H,26,28)(H,27,29,30)
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n/an/a<5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation

J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50003643
PNG
(CHEMBL484477)
Show SMILES COc1cc(CN\C=C2/C(=O)NC(=O)c3ccc(Br)cc23)cc(O)c1OC
Show InChI InChI=1S/C19H17BrN2O5/c1-26-16-6-10(5-15(23)17(16)27-2)8-21-9-14-13-7-11(20)3-4-12(13)18(24)22-19(14)25/h3-7,9,21,23H,8H2,1-2H3,(H,22,24,25)/b14-9-
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n/an/a<7n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation

J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50267399
PNG
(4-[(3-Hydroxy-4-pyridin-4-yl-benzylamino)-methylen...)
Show SMILES Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccncc1 |w:6.5|
Show InChI InChI=1S/C22H16IN3O3/c23-15-2-4-17-18(10-15)19(22(29)26-21(17)28)12-25-11-13-1-3-16(20(27)9-13)14-5-7-24-8-6-14/h1-10,12,25,27H,11H2,(H,26,28,29)
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n/an/a 8n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation

J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50267865
PNG
((4Z)-6-Iodo-4-{[(3-hydroxy-4-methoxybenzyl)amino]m...)
Show SMILES COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:8.7|
Show InChI InChI=1S/C18H15IN2O4/c1-25-16-5-2-10(6-15(16)22)8-20-9-14-13-7-11(19)3-4-12(13)17(23)21-18(14)24/h2-7,9,20,22H,8H2,1H3,(H,21,23,24)
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n/an/a 10n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation

J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50267479
PNG
(6-Iodo-4-{[(4-hydroxy-5-methoxy-pyridin-2-ylmethyl...)
Show SMILES COc1cnc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:8.7|
Show InChI InChI=1S/C17H14IN3O4/c1-25-15-8-20-10(5-14(15)22)6-19-7-13-12-4-9(18)2-3-11(12)16(23)21-17(13)24/h2-5,7-8,19H,6H2,1H3,(H,20,22)(H,21,23,24)
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n/an/a 10n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation

J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50267398
PNG
(4-[(3-Hydroxy-4-pyridin-3-yl-benzylamino)-methylen...)
Show SMILES Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1cccnc1 |w:6.5|
Show InChI InChI=1S/C22H16IN3O3/c23-15-4-6-17-18(9-15)19(22(29)26-21(17)28)12-25-10-13-3-5-16(20(27)8-13)14-2-1-7-24-11-14/h1-9,11-12,25,27H,10H2,(H,26,28,29)
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n/an/a 10n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation

J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50267900
PNG
(4-[(3-Hydroxy-4-methoxy-benzylamino)-methylene]-6-...)
Show SMILES COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccccc2)cc1O |w:8.7|
Show InChI InChI=1S/C24H20N2O4/c1-30-22-10-7-15(11-21(22)27)13-25-14-20-19-12-17(16-5-3-2-4-6-16)8-9-18(19)23(28)26-24(20)29/h2-12,14,25,27H,13H2,1H3,(H,26,28,29)
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n/an/a 10n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation

J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50267539
PNG
(6-tert-Butyl-4-{[(5-furan-3-yl-4-hydroxy-pyridin-2...)
Show SMILES CC(C)(C)c1ccc2C(=O)NC(=O)C(=CNCc3cc(O)c(cn3)-c3ccoc3)c2c1 |w:14.14|
Show InChI InChI=1S/C24H23N3O4/c1-24(2,3)15-4-5-17-18(8-15)20(23(30)27-22(17)29)11-25-10-16-9-21(28)19(12-26-16)14-6-7-31-13-14/h4-9,11-13,25H,10H2,1-3H3,(H,26,28)(H,27,29,30)
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n/an/a 20n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation

J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50267481
PNG
(6-tert-Butyl-4-{[(4-hydroxy-5-propoxy-pyridin-2-yl...)
Show SMILES CCCOc1cnc(CNC=C2C(=O)NC(=O)c3ccc(cc23)C(C)(C)C)cc1O |w:10.9|
Show InChI InChI=1S/C23H27N3O4/c1-5-8-30-20-13-25-15(10-19(20)27)11-24-12-18-17-9-14(23(2,3)4)6-7-16(17)21(28)26-22(18)29/h6-7,9-10,12-13,24H,5,8,11H2,1-4H3,(H,25,27)(H,26,28,29)
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n/an/a 20n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation

J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50267400
PNG
((4Z)-4-{[(3-Hydroxy-4-propoxybenzyl)amino]methylen...)
Show SMILES CCCOc1ccc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:10.9|
Show InChI InChI=1S/C20H19IN2O4/c1-2-7-27-18-6-3-12(8-17(18)24)10-22-11-16-15-9-13(21)4-5-14(15)19(25)23-20(16)26/h3-6,8-9,11,22,24H,2,7,10H2,1H3,(H,23,25,26)
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n/an/a 20n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation

J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50267402
PNG
(4-{[(6-Hydroxy-5-propoxy-pyridin-2-ylmethyl)-amino...)
Show SMILES CCCOc1ccc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)[nH]c1=O |w:10.9|
Show InChI InChI=1S/C19H18IN3O4/c1-2-7-27-16-6-4-12(22-19(16)26)9-21-10-15-14-8-11(20)3-5-13(14)17(24)23-18(15)25/h3-6,8,10,21H,2,7,9H2,1H3,(H,22,26)(H,23,24,25)
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n/an/a 20n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation

J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50271235
PNG
((4Z)-6-(3-Hydroxyphenyl)-4-({[4-piperidin-1-ylmeth...)
Show SMILES Oc1cccc(c1)-c1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:17.18|
Show InChI InChI=1S/C28H27N3O3/c32-23-6-4-5-20(15-23)21-9-12-24-25(16-21)26(28(34)30-27(24)33)17-29-22-10-7-19(8-11-22)18-31-13-2-1-3-14-31/h4-12,15-17,29,32H,1-3,13-14,18H2,(H,30,33,34)
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n/an/a 27n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) expressed in Sf9 cells-baculovirus system assessed as retinoblastoma susceptibility gene product phosph...

J Med Chem 51: 3507-25 (2008)


Article DOI: 10.1021/jm800072z
BindingDB Entry DOI: 10.7270/Q2CJ8D9K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50267252
PNG
((4Z)-4-{[(4-Methyl-3-hydroxybenzyl)amino]methylene...)
Show SMILES Cc1ccc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:7.6|
Show InChI InChI=1S/C18H15IN2O3/c1-10-2-3-11(6-16(10)22)8-20-9-15-14-7-12(19)4-5-13(14)17(23)21-18(15)24/h2-7,9,20,22H,8H2,1H3,(H,21,23,24)
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n/an/a 30n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation

J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50267937
PNG
((4Z)-6-bromo-4-{[(4-ethoxy-3-hydroxybenzyl)amino]m...)
Show SMILES CCOc1ccc(CNC=C2C(=O)NC(=O)c3ccc(Br)cc23)cc1O |w:9.8|
Show InChI InChI=1S/C19H17BrN2O4/c1-2-26-17-6-3-11(7-16(17)23)9-21-10-15-14-8-12(20)4-5-13(14)18(24)22-19(15)25/h3-8,10,21,23H,2,9H2,1H3,(H,22,24,25)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation

J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50267480
PNG
(4-{[(4-Hydroxy-5-propoxy-pyridin-2-ylmethyl)-amino...)
Show SMILES CCCOc1cnc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:10.9|
Show InChI InChI=1S/C19H18IN3O4/c1-2-5-27-17-10-22-12(7-16(17)24)8-21-9-15-14-6-11(20)3-4-13(14)18(25)23-19(15)26/h3-4,6-7,9-10,21H,2,5,8H2,1H3,(H,22,24)(H,23,25,26)
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n/an/a 30n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation

J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50267483
PNG
(6-tert-Butyl-4-{[(4-hydroxy-5-phenyl-pyridin-2-ylm...)
Show SMILES CC(C)(C)c1ccc2C(=O)NC(=O)C(=CNCc3cc(O)c(cn3)-c3ccccc3)c2c1 |w:14.14|
Show InChI InChI=1S/C26H25N3O3/c1-26(2,3)17-9-10-19-20(11-17)22(25(32)29-24(19)31)14-27-13-18-12-23(30)21(15-28-18)16-7-5-4-6-8-16/h4-12,14-15,27H,13H2,1-3H3,(H,28,30)(H,29,31,32)
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n/an/a 30n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation

J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50267538
PNG
((4Z)-{[(5-Furan-3-yl-4-hydroxy-pyridin-2-ylmethyl)...)
Show SMILES Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ncc1-c1ccoc1 |w:6.5|
Show InChI InChI=1S/C20H14IN3O4/c21-12-1-2-14-15(5-12)17(20(27)24-19(14)26)8-22-7-13-6-18(25)16(9-23-13)11-3-4-28-10-11/h1-6,8-10,22H,7H2,(H,23,25)(H,24,26,27)
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n/an/a 30n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation

J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50267864
PNG
((4Z)-6-Bromo-4-{[(3-hydroxy-4-methoxybenzyl)amino]...)
Show SMILES COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(Br)cc23)cc1O |w:8.7|
Show InChI InChI=1S/C18H15BrN2O4/c1-25-16-5-2-10(6-15(16)22)8-20-9-14-13-7-11(19)3-4-12(13)17(23)21-18(14)24/h2-7,9,20,22H,8H2,1H3,(H,21,23,24)
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n/an/a 30n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation

J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50267866
PNG
(4-[(3-Hydroxy-4-methoxy-benzylamino)-methylene]-6-...)
Show SMILES COc1ccc2C(=O)NC(=O)C(=CNCc3ccc(OC)c(O)c3)c2c1 |w:12.12|
Show InChI InChI=1S/C19H18N2O5/c1-25-12-4-5-13-14(8-12)15(19(24)21-18(13)23)10-20-9-11-3-6-17(26-2)16(22)7-11/h3-8,10,20,22H,9H2,1-2H3,(H,21,23,24)
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n/an/a 31n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation

J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM28077
PNG
((4Z)-6-(furan-3-yl)-4-({[4-(piperidin-1-ylmethyl)p...)
Show SMILES O=C1NC(=O)c2ccc(cc2C1=CNc1ccc(CN2CCCCC2)cc1)-c1ccoc1 |w:12.14|
Show InChI InChI=1S/C26H25N3O3/c30-25-22-9-6-19(20-10-13-32-17-20)14-23(22)24(26(31)28-25)15-27-21-7-4-18(5-8-21)16-29-11-2-1-3-12-29/h4-10,13-15,17,27H,1-3,11-12,16H2,(H,28,30,31)
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n/an/a 37n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) expressed in Sf9 cells-baculovirus system assessed as retinoblastoma susceptibility gene product phosph...

J Med Chem 51: 3507-25 (2008)


Article DOI: 10.1021/jm800072z
BindingDB Entry DOI: 10.7270/Q2CJ8D9K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50003644
PNG
(CHEMBL485503)
Show SMILES COCCOc1ccc(CN\C=C2/C(=O)NC(=O)c3ccc(Br)cc23)cc1O
Show InChI InChI=1S/C20H19BrN2O5/c1-27-6-7-28-18-5-2-12(8-17(18)24)10-22-11-16-15-9-13(21)3-4-14(15)19(25)23-20(16)26/h2-5,8-9,11,22,24H,6-7,10H2,1H3,(H,23,25,26)/b16-11-
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n/an/a<40n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation

J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50003645
PNG
(CHEMBL520020)
Show SMILES Oc1ccc(CN\C=C2/C(=O)NC(=O)c3ccc(Br)cc23)cc1O
Show InChI InChI=1S/C17H13BrN2O4/c18-10-2-3-11-12(6-10)13(17(24)20-16(11)23)8-19-7-9-1-4-14(21)15(22)5-9/h1-6,8,19,21-22H,7H2,(H,20,23,24)/b13-8-
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation

J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50271236
PNG
((4Z)-6-(4-Hydroxyphenyl)-4-({[4-piperidin-1-ylmeth...)
Show SMILES Oc1ccc(cc1)-c1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:17.18|
Show InChI InChI=1S/C28H27N3O3/c32-23-11-6-20(7-12-23)21-8-13-24-25(16-21)26(28(34)30-27(24)33)17-29-22-9-4-19(5-10-22)18-31-14-2-1-3-15-31/h4-13,16-17,29,32H,1-3,14-15,18H2,(H,30,33,34)
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n/an/a 41n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) expressed in Sf9 cells-baculovirus system assessed as retinoblastoma susceptibility gene product phosph...

J Med Chem 51: 3507-25 (2008)


Article DOI: 10.1021/jm800072z
BindingDB Entry DOI: 10.7270/Q2CJ8D9K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50271199
PNG
((4Z)-4-({[4-(Piperidin-1-ylmethyl)phenyl]amino}met...)
Show SMILES O=C1NC(=O)c2ccc(cc2C1=CNc1ccc(CN2CCCCC2)cc1)-c1cccnc1 |w:12.14|
Show InChI InChI=1S/C27H26N4O2/c32-26-23-11-8-20(21-5-4-12-28-16-21)15-24(23)25(27(33)30-26)17-29-22-9-6-19(7-10-22)18-31-13-2-1-3-14-31/h4-12,15-17,29H,1-3,13-14,18H2,(H,30,32,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) expressed in Sf9 cells-baculovirus system assessed as retinoblastoma susceptibility gene product phosph...

J Med Chem 51: 3507-25 (2008)


Article DOI: 10.1021/jm800072z
BindingDB Entry DOI: 10.7270/Q2CJ8D9K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50267581
PNG
((4Z)-4-[({[1-(3-Furyl)-2-oxo-1,2-dihydropyridin-4-...)
Show SMILES Ic1ccc2C(=O)NC(=O)C(=CNCc3ccn(-c4ccoc4)c(=O)c3)c2c1 |w:11.11|
Show InChI InChI=1S/C20H14IN3O4/c21-13-1-2-15-16(8-13)17(20(27)23-19(15)26)10-22-9-12-3-5-24(18(25)7-12)14-4-6-28-11-14/h1-8,10-11,22H,9H2,(H,23,26,27)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation

J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50267255
PNG
(4-[(4-Furan-3-yl-3-hydroxy-benzylamino)-methylene]...)
Show SMILES Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccoc1 |w:6.5|
Show InChI InChI=1S/C21H15IN2O4/c22-14-2-4-16-17(8-14)18(21(27)24-20(16)26)10-23-9-12-1-3-15(19(25)7-12)13-5-6-28-11-13/h1-8,10-11,23,25H,9H2,(H,24,26,27)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation

J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50267251
PNG
((4Z)-4-{[(4-Amino-3-hydroxybenzyl)amino]methylene}...)
Show SMILES Nc1ccc(CNC=C2C(=O)NC(=O)c3ccc(Br)cc23)cc1O |w:7.6|
Show InChI InChI=1S/C17H14BrN3O3/c18-10-2-3-11-12(6-10)13(17(24)21-16(11)23)8-20-7-9-1-4-14(19)15(22)5-9/h1-6,8,20,22H,7,19H2,(H,21,23,24)
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n/an/a 80n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation

J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50270643
PNG
((4Z)-4-({[3-Fluoro-4-(4-methylpiperazin-1-yl)pheny...)
Show SMILES CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccoc2)cc1F |w:12.12|
Show InChI InChI=1S/C25H23FN4O3/c1-29-7-9-30(10-8-29)23-5-3-18(13-22(23)26)27-14-21-20-12-16(17-6-11-33-15-17)2-4-19(20)24(31)28-25(21)32/h2-6,11-15,27H,7-10H2,1H3,(H,28,31,32)
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n/an/a 80n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) expressed in Sf9 cells-baculovirus system assessed as retinoblastoma susceptibility gene product phosph...

J Med Chem 51: 3507-25 (2008)


Article DOI: 10.1021/jm800072z
BindingDB Entry DOI: 10.7270/Q2CJ8D9K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50271036
PNG
((4Z)-4-({[4-(4-Methylpiperazin-1-yl)phenyl]amino}m...)
Show SMILES CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccsc2)cc1 |w:12.12|
Show InChI InChI=1S/C25H24N4O2S/c1-28-9-11-29(12-10-28)20-5-3-19(4-6-20)26-15-23-22-14-17(18-8-13-32-16-18)2-7-21(22)24(30)27-25(23)31/h2-8,13-16,26H,9-12H2,1H3,(H,27,30,31)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) expressed in Sf9 cells-baculovirus system assessed as retinoblastoma susceptibility gene product phosph...

J Med Chem 51: 3507-25 (2008)


Article DOI: 10.1021/jm800072z
BindingDB Entry DOI: 10.7270/Q2CJ8D9K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50267254
PNG
(4-[(4-Furan-2-yl-3-hydroxy-benzylamino)-methylene]...)
Show SMILES Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccco1 |w:6.5|
Show InChI InChI=1S/C21H15IN2O4/c22-13-4-6-14-16(9-13)17(21(27)24-20(14)26)11-23-10-12-3-5-15(18(25)8-12)19-2-1-7-28-19/h1-9,11,23,25H,10H2,(H,24,26,27)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation

J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50270579
PNG
((4Z)-6-(3-Furyl)-4-({[6-(4-methylpiperazin-1-yl)py...)
Show SMILES CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccoc2)cn1 |w:12.12|
Show InChI InChI=1S/C24H23N5O3/c1-28-7-9-29(10-8-28)22-5-3-18(13-26-22)25-14-21-20-12-16(17-6-11-32-15-17)2-4-19(20)23(30)27-24(21)31/h2-6,11-15,25H,7-10H2,1H3,(H,27,30,31)
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n/an/a 110n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) expressed in Sf9 cells-baculovirus system assessed as retinoblastoma susceptibility gene product phosph...

J Med Chem 51: 3507-25 (2008)


Article DOI: 10.1021/jm800072z
BindingDB Entry DOI: 10.7270/Q2CJ8D9K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50271200
PNG
((4Z)-4-({[4-Piperidin-1-ylmethyl]phenyl}amino)meth...)
Show SMILES O=C1NC(=O)c2ccc(cc2C1=CNc1ccc(CN2CCCCC2)cc1)-c1ccsc1 |w:12.14|
Show InChI InChI=1S/C26H25N3O2S/c30-25-22-9-6-19(20-10-13-32-17-20)14-23(22)24(26(31)28-25)15-27-21-7-4-18(5-8-21)16-29-11-2-1-3-12-29/h4-10,13-15,17,27H,1-3,11-12,16H2,(H,28,30,31)
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n/an/a 130n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) expressed in Sf9 cells-baculovirus system assessed as retinoblastoma susceptibility gene product phosph...

J Med Chem 51: 3507-25 (2008)


Article DOI: 10.1021/jm800072z
BindingDB Entry DOI: 10.7270/Q2CJ8D9K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50267253
PNG
(4-{[(2-Hydroxy-biphenyl-4-ylmethyl)-amino]-methyle...)
Show SMILES Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccccc1 |w:6.5|
Show InChI InChI=1S/C23H17IN2O3/c24-16-7-9-18-19(11-16)20(23(29)26-22(18)28)13-25-12-14-6-8-17(21(27)10-14)15-4-2-1-3-5-15/h1-11,13,25,27H,12H2,(H,26,28,29)
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n/an/a 130n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation

J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50271267
PNG
((4Z)-6-(4-Methoxyphenyl)-4-({[4-(piperidin-1-ylmet...)
Show SMILES COc1ccc(cc1)-c1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:18.19|
Show InChI InChI=1S/C29H29N3O3/c1-35-24-12-7-21(8-13-24)22-9-14-25-26(17-22)27(29(34)31-28(25)33)18-30-23-10-5-20(6-11-23)19-32-15-3-2-4-16-32/h5-14,17-18,30H,2-4,15-16,19H2,1H3,(H,31,33,34)
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n/an/a 130n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) expressed in Sf9 cells-baculovirus system assessed as retinoblastoma susceptibility gene product phosph...

J Med Chem 51: 3507-25 (2008)


Article DOI: 10.1021/jm800072z
BindingDB Entry DOI: 10.7270/Q2CJ8D9K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50271037
PNG
(4-[(4Z)-4-({[4-(4-Methylpiperazin-1-yl)phenyl]amin...)
Show SMILES CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccc(C=O)cc2)cc1 |w:12.12|
Show InChI InChI=1S/C28H26N4O3/c1-31-12-14-32(15-13-31)23-9-7-22(8-10-23)29-17-26-25-16-21(20-4-2-19(18-33)3-5-20)6-11-24(25)27(34)30-28(26)35/h2-11,16-18,29H,12-15H2,1H3,(H,30,34,35)
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n/an/a 130n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) expressed in Sf9 cells-baculovirus system assessed as retinoblastoma susceptibility gene product phosph...

J Med Chem 51: 3507-25 (2008)


Article DOI: 10.1021/jm800072z
BindingDB Entry DOI: 10.7270/Q2CJ8D9K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50270522
PNG
((4Z)-6-(3-Furyl)-4-({[5-(4-methylpiperazin-1-yl)py...)
Show SMILES CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccoc2)nc1 |w:12.12|
Show InChI InChI=1S/C24H23N5O3/c1-28-7-9-29(10-8-28)18-3-5-22(25-13-18)26-14-21-20-12-16(17-6-11-32-15-17)2-4-19(20)23(30)27-24(21)31/h2-6,11-15H,7-10H2,1H3,(H,25,26)(H,27,30,31)
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n/an/a 130n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) expressed in Sf9 cells-baculovirus system assessed as retinoblastoma susceptibility gene product phosph...

J Med Chem 51: 3507-25 (2008)


Article DOI: 10.1021/jm800072z
BindingDB Entry DOI: 10.7270/Q2CJ8D9K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50270775
PNG
((4Z)-4-({[4-(4-Methylpiperazin-1-yl)phenyl]amino}m...)
Show SMILES CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)-n2cccc2)cc1 |w:12.12|
Show InChI InChI=1S/C25H25N5O2/c1-28-12-14-30(15-13-28)19-6-4-18(5-7-19)26-17-23-22-16-20(29-10-2-3-11-29)8-9-21(22)24(31)27-25(23)32/h2-11,16-17,26H,12-15H2,1H3,(H,27,31,32)
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n/an/a 140n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) expressed in Sf9 cells-baculovirus system assessed as retinoblastoma susceptibility gene product phosph...

J Med Chem 51: 3507-25 (2008)


Article DOI: 10.1021/jm800072z
BindingDB Entry DOI: 10.7270/Q2CJ8D9K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50271115
PNG
((4Z)-4-({[4 Piperidin-1-ylmethyl]phenyl}amino)meth...)
Show SMILES O=C1NC(=O)c2ccc(cc2C1=CNc1ccc(CN2CCCCC2)cc1)-n1cccc1 |w:12.14|
Show InChI InChI=1S/C26H26N4O2/c31-25-22-11-10-21(30-14-4-5-15-30)16-23(22)24(26(32)28-25)17-27-20-8-6-19(7-9-20)18-29-12-2-1-3-13-29/h4-11,14-17,27H,1-3,12-13,18H2,(H,28,31,32)
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n/an/a 140n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) expressed in Sf9 cells-baculovirus system assessed as retinoblastoma susceptibility gene product phosph...

J Med Chem 51: 3507-25 (2008)


Article DOI: 10.1021/jm800072z
BindingDB Entry DOI: 10.7270/Q2CJ8D9K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50267817
PNG
((4Z)-6-Fluoro-4-{[(3-hydroxy-4-methoxybenzyl)amino...)
Show SMILES COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(F)cc23)cc1O |w:8.7|
Show InChI InChI=1S/C18H15FN2O4/c1-25-16-5-2-10(6-15(16)22)8-20-9-14-13-7-11(19)3-4-12(13)17(23)21-18(14)24/h2-7,9,20,22H,8H2,1H3,(H,21,23,24)
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n/an/a 170n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation

J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50267815
PNG
((4Z)-4-{[(3-Hydroxy-4-methoxybenzyl)amino]methylen...)
Show SMILES COc1ccc(CNC=C2C(=O)NC(=O)c3ccccc23)cc1O |w:8.7|
Show InChI InChI=1S/C18H16N2O4/c1-24-16-7-6-11(8-15(16)21)9-19-10-14-12-4-2-3-5-13(12)17(22)20-18(14)23/h2-8,10,19,21H,9H2,1H3,(H,20,22,23)
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n/an/a 190n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation

J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Retinoblastoma-associated protein


(Homo sapiens (Human))		BDBM50267481
PNG
(6-tert-Butyl-4-{[(4-hydroxy-5-propoxy-pyridin-2-yl...)
Show SMILES CCCOc1cnc(CNC=C2C(=O)NC(=O)c3ccc(cc23)C(C)(C)C)cc1O |w:10.9|
Show InChI InChI=1S/C23H27N3O4/c1-5-8-30-20-13-25-15(10-19(20)27)11-24-12-18-17-9-14(23(2,3)4)6-7-16(17)21(28)26-22(18)29/h6-7,9-10,12-13,24H,5,8,11H2,1-4H3,(H,25,27)(H,26,28,29)
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n/an/a 200n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of retinoblastoma susceptibility gene product phosphorylation in human MCF7 cells after 24 hrs

J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50270881
PNG
((4Z)-6-(3-Furyl)-4-({[4-(4-methylpiperazin-1-yl)ph...)
Show SMILES CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccoc2)cc1 |w:12.12|
Show InChI InChI=1S/C25H24N4O3/c1-28-9-11-29(12-10-28)20-5-3-19(4-6-20)26-15-23-22-14-17(18-8-13-32-16-18)2-7-21(22)24(30)27-25(23)31/h2-8,13-16,26H,9-12H2,1H3,(H,27,30,31)
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n/an/a 220n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) expressed in Sf9 cells-baculovirus system assessed as retinoblastoma susceptibility gene product phosph...

J Med Chem 51: 3507-25 (2008)


Article DOI: 10.1021/jm800072z
BindingDB Entry DOI: 10.7270/Q2CJ8D9K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50267818
PNG
((4Z)-6-Chloro-4-{[(3-hydroxy-4-methoxybenzyl)amino...)
Show SMILES COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(Cl)cc23)cc1O |w:8.7|
Show InChI InChI=1S/C18H15ClN2O4/c1-25-16-5-2-10(6-15(16)22)8-20-9-14-13-7-11(19)3-4-12(13)17(23)21-18(14)24/h2-7,9,20,22H,8H2,1H3,(H,21,23,24)
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n/an/a 230n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation

J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50270644
PNG
((4Z)-6-(3-Furyl)-4-({[2-(4-methylpiperazin-1-yl)py...)
Show SMILES CN1CCN(CC1)c1ncc(NC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccoc2)cn1 |w:12.12|
Show InChI InChI=1S/C23H22N6O3/c1-28-5-7-29(8-6-28)23-25-11-17(12-26-23)24-13-20-19-10-15(16-4-9-32-14-16)2-3-18(19)21(30)27-22(20)31/h2-4,9-14,24H,5-8H2,1H3,(H,27,30,31)
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n/an/a 250n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) expressed in Sf9 cells-baculovirus system assessed as retinoblastoma susceptibility gene product phosph...

J Med Chem 51: 3507-25 (2008)


Article DOI: 10.1021/jm800072z
BindingDB Entry DOI: 10.7270/Q2CJ8D9K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50267580
PNG
((4Z)-6-Iodo-4-({[(2-oxo-1-phenyl-1,2dihydropyridin...)
Show SMILES Ic1ccc2C(=O)NC(=O)C(=CNCc3ccn(-c4ccccc4)c(=O)c3)c2c1 |w:11.11|
Show InChI InChI=1S/C22H16IN3O3/c23-15-6-7-17-18(11-15)19(22(29)25-21(17)28)13-24-12-14-8-9-26(20(27)10-14)16-4-2-1-3-5-16/h1-11,13,24H,12H2,(H,25,28,29)
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n/an/a 270n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/Cyclin D1 (unknown origin) assessed as inhibition of retinoblastoma susceptibility gene product phosphorylation

J Med Chem 52: 2289-310 (2009)


Article DOI: 10.1021/jm801026e
BindingDB Entry DOI: 10.7270/Q27H1JG7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM50271089
PNG
((4Z)-6-Iodo-4-({[4-(piperidin-1-ylmethyl)phenyl]am...)
Show SMILES Ic1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:11.11|
Show InChI InChI=1S/C22H22IN3O2/c23-16-6-9-18-19(12-16)20(22(28)25-21(18)27)13-24-17-7-4-15(5-8-17)14-26-10-2-1-3-11-26/h4-9,12-13,24H,1-3,10-11,14H2,(H,25,27,28)
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n/an/a 300n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4/cyclin D1 (unknown origin) expressed in Sf9 cells-baculovirus system assessed as retinoblastoma susceptibility gene product phosph...

J Med Chem 51: 3507-25 (2008)


Article DOI: 10.1021/jm800072z
BindingDB Entry DOI: 10.7270/Q2CJ8D9K
More data for this
Ligand-Target Pair
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