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Compile Data Set for Download or QSAR

Found 34 hits with Last Name = 'abbott' and Initial = 'j'   
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 (CDK4)


(Homo sapiens (human))
BDBM50444660
PNG
(CHEMBL3098662)
Show SMILES CCOc1ccc(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccc(F)cc2)C(O)=O)cc1OCC
Show InChI InChI=1S/C37H53FN8O9/c1-5-54-29-14-11-23(18-30(29)55-6-2)19-32(48)43-25(8-7-15-42-37(40)41)33(49)44-26(16-21(3)4)34(50)45-27(20-31(39)47)35(51)46-28(36(52)53)17-22-9-12-24(38)13-10-22/h9-14,18,21,25-28H,5-8,15-17,19-20H2,1-4H3,(H2,39,47)(H,43,48)(H,44,49)(H,45,50)(H,46,51)(H,52,53)(H4,40,41,42)/t25-,26-,27-,28-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK4/cyclin D1 using fluoresceinyl-Ahx-Pro-Val-Lys-Arg-Arg-Leu-(3ClPhe)-Gly as substrate after 45 mins by fluorescenc...


Bioorg Med Chem 22: 616-22 (2013)


Article DOI: 10.1016/j.bmc.2013.10.039
BindingDB Entry DOI: 10.7270/Q2416ZHS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM50444660
PNG
(CHEMBL3098662)
Show SMILES CCOc1ccc(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccc(F)cc2)C(O)=O)cc1OCC
Show InChI InChI=1S/C37H53FN8O9/c1-5-54-29-14-11-23(18-30(29)55-6-2)19-32(48)43-25(8-7-15-42-37(40)41)33(49)44-26(16-21(3)4)34(50)45-27(20-31(39)47)35(51)46-28(36(52)53)17-22-9-12-24(38)13-10-22/h9-14,18,21,25-28H,5-8,15-17,19-20H2,1-4H3,(H2,39,47)(H,43,48)(H,44,49)(H,45,50)(H,46,51)(H,52,53)(H4,40,41,42)/t25-,26-,27-,28-/m0/s1
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n/an/a 5.20E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK2/cyclin A using fluoresceinyl-Ahx-Pro-Val-Lys-Arg-Arg-Leu-Phe-Gly as substrate after 45 mins by fluorescence pola...


Bioorg Med Chem 22: 616-22 (2013)


Article DOI: 10.1016/j.bmc.2013.10.039
BindingDB Entry DOI: 10.7270/Q2416ZHS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM50444659
PNG
(CHEMBL3098653)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C33H57N11O6/c1-5-20(4)26(30(48)43-25(31(49)50)18-21-11-7-6-8-12-21)44-29(47)24(17-19(2)3)42-28(46)23(14-10-16-40-33(37)38)41-27(45)22(34)13-9-15-39-32(35)36/h6-8,11-12,19-20,22-26H,5,9-10,13-18,34H2,1-4H3,(H,41,45)(H,42,46)(H,43,48)(H,44,47)(H,49,50)(H4,35,36,39)(H4,37,38,40)/t20-,22-,23-,24-,25-,26-/m0/s1
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n/an/a 1.61E+4n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK4/cyclin D1 using fluoresceinyl-Ahx-Pro-Val-Lys-Arg-Arg-Leu-(3ClPhe)-Gly as substrate after 45 mins by fluorescenc...


Bioorg Med Chem 22: 616-22 (2013)


Article DOI: 10.1016/j.bmc.2013.10.039
BindingDB Entry DOI: 10.7270/Q2416ZHS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM50444659
PNG
(CHEMBL3098653)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C33H57N11O6/c1-5-20(4)26(30(48)43-25(31(49)50)18-21-11-7-6-8-12-21)44-29(47)24(17-19(2)3)42-28(46)23(14-10-16-40-33(37)38)41-27(45)22(34)13-9-15-39-32(35)36/h6-8,11-12,19-20,22-26H,5,9-10,13-18,34H2,1-4H3,(H,41,45)(H,42,46)(H,43,48)(H,44,47)(H,49,50)(H4,35,36,39)(H4,37,38,40)/t20-,22-,23-,24-,25-,26-/m0/s1
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n/an/a 1.61E+4n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK2/cyclin A using fluoresceinyl-Ahx-Pro-Val-Lys-Arg-Arg-Leu-Phe-Gly as substrate after 45 mins by fluorescence pola...


Bioorg Med Chem 22: 616-22 (2013)


Article DOI: 10.1016/j.bmc.2013.10.039
BindingDB Entry DOI: 10.7270/Q2416ZHS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM50444664
PNG
(CHEMBL3098658)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c1ccc(cn1)N1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C37H56N10O6/c1-5-24(4)31(35(51)45-30(36(52)53)21-25-10-7-6-8-11-25)46-34(50)29(20-23(2)3)44-33(49)28(12-9-15-41-37(38)39)43-32(48)27-14-13-26(22-42-27)47-18-16-40-17-19-47/h6-8,10-11,13-14,22-24,28-31,40H,5,9,12,15-21H2,1-4H3,(H,43,48)(H,44,49)(H,45,51)(H,46,50)(H,52,53)(H4,38,39,41)/t24-,28-,29-,30-,31-/m0/s1
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n/an/a 2.19E+4n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK4/cyclin D1 using fluoresceinyl-Ahx-Pro-Val-Lys-Arg-Arg-Leu-(3ClPhe)-Gly as substrate after 45 mins by fluorescenc...


Bioorg Med Chem 22: 616-22 (2013)


Article DOI: 10.1016/j.bmc.2013.10.039
BindingDB Entry DOI: 10.7270/Q2416ZHS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM50444673
PNG
(CHEMBL3098654)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)c1ccccn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C31H42FN9O7/c1-17(2)14-22(39-27(44)21(7-5-13-37-31(34)35)38-26(43)20-6-3-4-12-36-20)28(45)40-23(16-25(33)42)29(46)41-24(30(47)48)15-18-8-10-19(32)11-9-18/h3-4,6,8-12,17,21-24H,5,7,13-16H2,1-2H3,(H2,33,42)(H,38,43)(H,39,44)(H,40,45)(H,41,46)(H,47,48)(H4,34,35,37)/t21-,22-,23-,24-/m0/s1
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n/an/a 2.92E+4n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK2/cyclin A using fluoresceinyl-Ahx-Pro-Val-Lys-Arg-Arg-Leu-Phe-Gly as substrate after 45 mins by fluorescence pola...


Bioorg Med Chem 22: 616-22 (2013)


Article DOI: 10.1016/j.bmc.2013.10.039
BindingDB Entry DOI: 10.7270/Q2416ZHS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM50444675
PNG
(CHEMBL3098656)
Show SMILES COc1cccc(n1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C32H44FN9O8/c1-17(2)14-22(40-28(45)21(7-5-13-37-32(35)36)39-27(44)20-6-4-8-26(38-20)50-3)29(46)41-23(16-25(34)43)30(47)42-24(31(48)49)15-18-9-11-19(33)12-10-18/h4,6,8-12,17,21-24H,5,7,13-16H2,1-3H3,(H2,34,43)(H,39,44)(H,40,45)(H,41,46)(H,42,47)(H,48,49)(H4,35,36,37)/t21-,22-,23-,24-/m0/s1
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n/an/a 3.64E+4n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK2/cyclin A using fluoresceinyl-Ahx-Pro-Val-Lys-Arg-Arg-Leu-Phe-Gly as substrate after 45 mins by fluorescence pola...


Bioorg Med Chem 22: 616-22 (2013)


Article DOI: 10.1016/j.bmc.2013.10.039
BindingDB Entry DOI: 10.7270/Q2416ZHS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM50444675
PNG
(CHEMBL3098656)
Show SMILES COc1cccc(n1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C32H44FN9O8/c1-17(2)14-22(40-28(45)21(7-5-13-37-32(35)36)39-27(44)20-6-4-8-26(38-20)50-3)29(46)41-23(16-25(34)43)30(47)42-24(31(48)49)15-18-9-11-19(33)12-10-18/h4,6,8-12,17,21-24H,5,7,13-16H2,1-3H3,(H2,34,43)(H,39,44)(H,40,45)(H,41,46)(H,42,47)(H,48,49)(H4,35,36,37)/t21-,22-,23-,24-/m0/s1
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n/an/a 3.69E+4n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK4/cyclin D1 using fluoresceinyl-Ahx-Pro-Val-Lys-Arg-Arg-Leu-(3ClPhe)-Gly as substrate after 45 mins by fluorescenc...


Bioorg Med Chem 22: 616-22 (2013)


Article DOI: 10.1016/j.bmc.2013.10.039
BindingDB Entry DOI: 10.7270/Q2416ZHS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM50444665
PNG
(CHEMBL3098657)
Show SMILES CCOc1cccc(n1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C33H46FN9O8/c1-4-51-27-9-5-7-21(39-27)28(45)40-22(8-6-14-38-33(36)37)29(46)41-23(15-18(2)3)30(47)42-24(17-26(35)44)31(48)43-25(32(49)50)16-19-10-12-20(34)13-11-19/h5,7,9-13,18,22-25H,4,6,8,14-17H2,1-3H3,(H2,35,44)(H,40,45)(H,41,46)(H,42,47)(H,43,48)(H,49,50)(H4,36,37,38)/t22-,23-,24-,25-/m0/s1
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n/an/a 3.97E+4n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK2/cyclin A using fluoresceinyl-Ahx-Pro-Val-Lys-Arg-Arg-Leu-Phe-Gly as substrate after 45 mins by fluorescence pola...


Bioorg Med Chem 22: 616-22 (2013)


Article DOI: 10.1016/j.bmc.2013.10.039
BindingDB Entry DOI: 10.7270/Q2416ZHS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM50444666
PNG
(CHEMBL3098663)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c1ccc(CN(CC)CC)o1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C37H58N8O7/c1-7-24(6)31(35(49)43-29(36(50)51)21-25-14-11-10-12-15-25)44-33(47)28(20-23(4)5)42-32(46)27(16-13-19-40-37(38)39)41-34(48)30-18-17-26(52-30)22-45(8-2)9-3/h10-12,14-15,17-18,23-24,27-29,31H,7-9,13,16,19-22H2,1-6H3,(H,41,48)(H,42,46)(H,43,49)(H,44,47)(H,50,51)(H4,38,39,40)/t24-,27-,28-,29-,31-/m0/s1
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n/an/a 4.19E+4n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK4/cyclin D1 using fluoresceinyl-Ahx-Pro-Val-Lys-Arg-Arg-Leu-(3ClPhe)-Gly as substrate after 45 mins by fluorescenc...


Bioorg Med Chem 22: 616-22 (2013)


Article DOI: 10.1016/j.bmc.2013.10.039
BindingDB Entry DOI: 10.7270/Q2416ZHS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM50444669
PNG
(CHEMBL3098666)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c1ccc(CN2CCN(C)CC2)o1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C38H59N9O7/c1-6-25(4)32(36(51)44-30(37(52)53)22-26-11-8-7-9-12-26)45-34(49)29(21-24(2)3)43-33(48)28(13-10-16-41-38(39)40)42-35(50)31-15-14-27(54-31)23-47-19-17-46(5)18-20-47/h7-9,11-12,14-15,24-25,28-30,32H,6,10,13,16-23H2,1-5H3,(H,42,50)(H,43,48)(H,44,51)(H,45,49)(H,52,53)(H4,39,40,41)/t25-,28-,29-,30-,32-/m0/s1
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n/an/a 4.32E+4n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK4/cyclin D1 using fluoresceinyl-Ahx-Pro-Val-Lys-Arg-Arg-Leu-(3ClPhe)-Gly as substrate after 45 mins by fluorescenc...


Bioorg Med Chem 22: 616-22 (2013)


Article DOI: 10.1016/j.bmc.2013.10.039
BindingDB Entry DOI: 10.7270/Q2416ZHS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM50444666
PNG
(CHEMBL3098663)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c1ccc(CN(CC)CC)o1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C37H58N8O7/c1-7-24(6)31(35(49)43-29(36(50)51)21-25-14-11-10-12-15-25)44-33(47)28(20-23(4)5)42-32(46)27(16-13-19-40-37(38)39)41-34(48)30-18-17-26(52-30)22-45(8-2)9-3/h10-12,14-15,17-18,23-24,27-29,31H,7-9,13,16,19-22H2,1-6H3,(H,41,48)(H,42,46)(H,43,49)(H,44,47)(H,50,51)(H4,38,39,40)/t24-,27-,28-,29-,31-/m0/s1
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n/an/a 4.35E+4n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK2/cyclin A using fluoresceinyl-Ahx-Pro-Val-Lys-Arg-Arg-Leu-Phe-Gly as substrate after 45 mins by fluorescence pola...


Bioorg Med Chem 22: 616-22 (2013)


Article DOI: 10.1016/j.bmc.2013.10.039
BindingDB Entry DOI: 10.7270/Q2416ZHS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM50444673
PNG
(CHEMBL3098654)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)c1ccccn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C31H42FN9O7/c1-17(2)14-22(39-27(44)21(7-5-13-37-31(34)35)38-26(43)20-6-3-4-12-36-20)28(45)40-23(16-25(33)42)29(46)41-24(30(47)48)15-18-8-10-19(32)11-9-18/h3-4,6,8-12,17,21-24H,5,7,13-16H2,1-2H3,(H2,33,42)(H,38,43)(H,39,44)(H,40,45)(H,41,46)(H,47,48)(H4,34,35,37)/t21-,22-,23-,24-/m0/s1
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n/an/a 4.84E+4n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK4/cyclin D1 using fluoresceinyl-Ahx-Pro-Val-Lys-Arg-Arg-Leu-(3ClPhe)-Gly as substrate after 45 mins by fluorescenc...


Bioorg Med Chem 22: 616-22 (2013)


Article DOI: 10.1016/j.bmc.2013.10.039
BindingDB Entry DOI: 10.7270/Q2416ZHS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM50444662
PNG
(CHEMBL3098660)
Show SMILES CCCOc1ccc(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccc(F)cc2)C(O)=O)cc1
Show InChI InChI=1S/C36H51FN8O8/c1-4-16-53-25-13-9-23(10-14-25)19-31(47)42-26(6-5-15-41-36(39)40)32(48)43-27(17-21(2)3)33(49)44-28(20-30(38)46)34(50)45-29(35(51)52)18-22-7-11-24(37)12-8-22/h7-14,21,26-29H,4-6,15-20H2,1-3H3,(H2,38,46)(H,42,47)(H,43,48)(H,44,49)(H,45,50)(H,51,52)(H4,39,40,41)/t26-,27-,28-,29-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK4/cyclin D1 using fluoresceinyl-Ahx-Pro-Val-Lys-Arg-Arg-Leu-(3ClPhe)-Gly as substrate after 45 mins by fluorescenc...


Bioorg Med Chem 22: 616-22 (2013)


Article DOI: 10.1016/j.bmc.2013.10.039
BindingDB Entry DOI: 10.7270/Q2416ZHS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM50444669
PNG
(CHEMBL3098666)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c1ccc(CN2CCN(C)CC2)o1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C38H59N9O7/c1-6-25(4)32(36(51)44-30(37(52)53)22-26-11-8-7-9-12-26)45-34(49)29(21-24(2)3)43-33(48)28(13-10-16-41-38(39)40)42-35(50)31-15-14-27(54-31)23-47-19-17-46(5)18-20-47/h7-9,11-12,14-15,24-25,28-30,32H,6,10,13,16-23H2,1-5H3,(H,42,50)(H,43,48)(H,44,51)(H,45,49)(H,52,53)(H4,39,40,41)/t25-,28-,29-,30-,32-/m0/s1
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n/an/a 5.03E+4n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK2/cyclin A using fluoresceinyl-Ahx-Pro-Val-Lys-Arg-Arg-Leu-Phe-Gly as substrate after 45 mins by fluorescence pola...


Bioorg Med Chem 22: 616-22 (2013)


Article DOI: 10.1016/j.bmc.2013.10.039
BindingDB Entry DOI: 10.7270/Q2416ZHS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM50444671
PNG
(CHEMBL3098668)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c1csc(n1)-c1ccsc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C35H48N8O6S2/c1-5-21(4)28(32(47)41-26(34(48)49)17-22-10-7-6-8-11-22)43-30(45)25(16-20(2)3)40-29(44)24(12-9-14-38-35(36)37)39-31(46)27-19-51-33(42-27)23-13-15-50-18-23/h6-8,10-11,13,15,18-21,24-26,28H,5,9,12,14,16-17H2,1-4H3,(H,39,46)(H,40,44)(H,41,47)(H,43,45)(H,48,49)(H4,36,37,38)/t21-,24-,25-,26-,28-/m0/s1
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n/an/a 5.62E+4n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK2/cyclin A using fluoresceinyl-Ahx-Pro-Val-Lys-Arg-Arg-Leu-Phe-Gly as substrate after 45 mins by fluorescence pola...


Bioorg Med Chem 22: 616-22 (2013)


Article DOI: 10.1016/j.bmc.2013.10.039
BindingDB Entry DOI: 10.7270/Q2416ZHS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM50444674
PNG
(CHEMBL3098655)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c1cccc(C)n1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C34H50N8O6/c1-6-21(4)28(32(46)41-27(33(47)48)19-23-13-8-7-9-14-23)42-31(45)26(18-20(2)3)40-30(44)25(16-11-17-37-34(35)36)39-29(43)24-15-10-12-22(5)38-24/h7-10,12-15,20-21,25-28H,6,11,16-19H2,1-5H3,(H,39,43)(H,40,44)(H,41,46)(H,42,45)(H,47,48)(H4,35,36,37)/t21-,25-,26-,27-,28-/m0/s1
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n/an/a 8.57E+4n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK4/cyclin D1 using fluoresceinyl-Ahx-Pro-Val-Lys-Arg-Arg-Leu-(3ClPhe)-Gly as substrate after 45 mins by fluorescenc...


Bioorg Med Chem 22: 616-22 (2013)


Article DOI: 10.1016/j.bmc.2013.10.039
BindingDB Entry DOI: 10.7270/Q2416ZHS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM50444670
PNG
(CHEMBL3098667)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c1ccc(Cn2cc(C)cn2)o1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C37H53N9O7/c1-6-24(5)31(35(50)44-29(36(51)52)18-25-11-8-7-9-12-25)45-33(48)28(17-22(2)3)43-32(47)27(13-10-16-40-37(38)39)42-34(49)30-15-14-26(53-30)21-46-20-23(4)19-41-46/h7-9,11-12,14-15,19-20,22,24,27-29,31H,6,10,13,16-18,21H2,1-5H3,(H,42,49)(H,43,47)(H,44,50)(H,45,48)(H,51,52)(H4,38,39,40)/t24-,27-,28-,29-,31-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK2/cyclin A using fluoresceinyl-Ahx-Pro-Val-Lys-Arg-Arg-Leu-Phe-Gly as substrate after 45 mins by fluorescence pola...


Bioorg Med Chem 22: 616-22 (2013)


Article DOI: 10.1016/j.bmc.2013.10.039
BindingDB Entry DOI: 10.7270/Q2416ZHS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM50444661
PNG
(CHEMBL3098661)
Show SMILES CC(C)COc1ccc(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccc(F)cc2)C(O)=O)cc1
Show InChI InChI=1S/C37H53FN8O8/c1-21(2)16-28(34(50)45-29(19-31(39)47)35(51)46-30(36(52)53)17-23-7-11-25(38)12-8-23)44-33(49)27(6-5-15-42-37(40)41)43-32(48)18-24-9-13-26(14-10-24)54-20-22(3)4/h7-14,21-22,27-30H,5-6,15-20H2,1-4H3,(H2,39,47)(H,43,48)(H,44,49)(H,45,50)(H,46,51)(H,52,53)(H4,40,41,42)/t27-,28-,29-,30-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK4/cyclin D1 using fluoresceinyl-Ahx-Pro-Val-Lys-Arg-Arg-Leu-(3ClPhe)-Gly as substrate after 45 mins by fluorescenc...


Bioorg Med Chem 22: 616-22 (2013)


Article DOI: 10.1016/j.bmc.2013.10.039
BindingDB Entry DOI: 10.7270/Q2416ZHS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM50444663
PNG
(CHEMBL3098659)
Show SMILES CCOc1ccc(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccc(F)cc2)C(O)=O)cc1
Show InChI InChI=1S/C35H49FN8O8/c1-4-52-24-13-9-22(10-14-24)18-30(46)41-25(6-5-15-40-35(38)39)31(47)42-26(16-20(2)3)32(48)43-27(19-29(37)45)33(49)44-28(34(50)51)17-21-7-11-23(36)12-8-21/h7-14,20,25-28H,4-6,15-19H2,1-3H3,(H2,37,45)(H,41,46)(H,42,47)(H,43,48)(H,44,49)(H,50,51)(H4,38,39,40)/t25-,26-,27-,28-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK4/cyclin D1 using fluoresceinyl-Ahx-Pro-Val-Lys-Arg-Arg-Leu-(3ClPhe)-Gly as substrate after 45 mins by fluorescenc...


Bioorg Med Chem 22: 616-22 (2013)


Article DOI: 10.1016/j.bmc.2013.10.039
BindingDB Entry DOI: 10.7270/Q2416ZHS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM50444665
PNG
(CHEMBL3098657)
Show SMILES CCOc1cccc(n1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C33H46FN9O8/c1-4-51-27-9-5-7-21(39-27)28(45)40-22(8-6-14-38-33(36)37)29(46)41-23(15-18(2)3)30(47)42-24(17-26(35)44)31(48)43-25(32(49)50)16-19-10-12-20(34)13-11-19/h5,7,9-13,18,22-25H,4,6,8,14-17H2,1-3H3,(H2,35,44)(H,40,45)(H,41,46)(H,42,47)(H,43,48)(H,49,50)(H4,36,37,38)/t22-,23-,24-,25-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK4/cyclin D1 using fluoresceinyl-Ahx-Pro-Val-Lys-Arg-Arg-Leu-(3ClPhe)-Gly as substrate after 45 mins by fluorescenc...


Bioorg Med Chem 22: 616-22 (2013)


Article DOI: 10.1016/j.bmc.2013.10.039
BindingDB Entry DOI: 10.7270/Q2416ZHS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM50444668
PNG
(CHEMBL3098665)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c1ccc(Cn2cccn2)o1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C36H51N9O7/c1-5-23(4)30(34(49)43-28(35(50)51)20-24-11-7-6-8-12-24)44-32(47)27(19-22(2)3)42-31(46)26(13-9-16-39-36(37)38)41-33(48)29-15-14-25(52-29)21-45-18-10-17-40-45/h6-8,10-12,14-15,17-18,22-23,26-28,30H,5,9,13,16,19-21H2,1-4H3,(H,41,48)(H,42,46)(H,43,49)(H,44,47)(H,50,51)(H4,37,38,39)/t23-,26-,27-,28-,30-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK4/cyclin D1 using fluoresceinyl-Ahx-Pro-Val-Lys-Arg-Arg-Leu-(3ClPhe)-Gly as substrate after 45 mins by fluorescenc...


Bioorg Med Chem 22: 616-22 (2013)


Article DOI: 10.1016/j.bmc.2013.10.039
BindingDB Entry DOI: 10.7270/Q2416ZHS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM50444674
PNG
(CHEMBL3098655)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c1cccc(C)n1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C34H50N8O6/c1-6-21(4)28(32(46)41-27(33(47)48)19-23-13-8-7-9-14-23)42-31(45)26(18-20(2)3)40-30(44)25(16-11-17-37-34(35)36)39-29(43)24-15-10-12-22(5)38-24/h7-10,12-15,20-21,25-28H,6,11,16-19H2,1-5H3,(H,39,43)(H,40,44)(H,41,46)(H,42,45)(H,47,48)(H4,35,36,37)/t21-,25-,26-,27-,28-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK2/cyclin A using fluoresceinyl-Ahx-Pro-Val-Lys-Arg-Arg-Leu-Phe-Gly as substrate after 45 mins by fluorescence pola...


Bioorg Med Chem 22: 616-22 (2013)


Article DOI: 10.1016/j.bmc.2013.10.039
BindingDB Entry DOI: 10.7270/Q2416ZHS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM50444664
PNG
(CHEMBL3098658)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c1ccc(cn1)N1CCNCC1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C37H56N10O6/c1-5-24(4)31(35(51)45-30(36(52)53)21-25-10-7-6-8-11-25)46-34(50)29(20-23(2)3)44-33(49)28(12-9-15-41-37(38)39)43-32(48)27-14-13-26(22-42-27)47-18-16-40-17-19-47/h6-8,10-11,13-14,22-24,28-31,40H,5,9,12,15-21H2,1-4H3,(H,43,48)(H,44,49)(H,45,51)(H,46,50)(H,52,53)(H4,38,39,41)/t24-,28-,29-,30-,31-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK2/cyclin A using fluoresceinyl-Ahx-Pro-Val-Lys-Arg-Arg-Leu-Phe-Gly as substrate after 45 mins by fluorescence pola...


Bioorg Med Chem 22: 616-22 (2013)


Article DOI: 10.1016/j.bmc.2013.10.039
BindingDB Entry DOI: 10.7270/Q2416ZHS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM50444663
PNG
(CHEMBL3098659)
Show SMILES CCOc1ccc(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccc(F)cc2)C(O)=O)cc1
Show InChI InChI=1S/C35H49FN8O8/c1-4-52-24-13-9-22(10-14-24)18-30(46)41-25(6-5-15-40-35(38)39)31(47)42-26(16-20(2)3)32(48)43-27(19-29(37)45)33(49)44-28(34(50)51)17-21-7-11-23(36)12-8-21/h7-14,20,25-28H,4-6,15-19H2,1-3H3,(H2,37,45)(H,41,46)(H,42,47)(H,43,48)(H,44,49)(H,50,51)(H4,38,39,40)/t25-,26-,27-,28-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK2/cyclin A using fluoresceinyl-Ahx-Pro-Val-Lys-Arg-Arg-Leu-Phe-Gly as substrate after 45 mins by fluorescence pola...


Bioorg Med Chem 22: 616-22 (2013)


Article DOI: 10.1016/j.bmc.2013.10.039
BindingDB Entry DOI: 10.7270/Q2416ZHS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM50444662
PNG
(CHEMBL3098660)
Show SMILES CCCOc1ccc(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccc(F)cc2)C(O)=O)cc1
Show InChI InChI=1S/C36H51FN8O8/c1-4-16-53-25-13-9-23(10-14-25)19-31(47)42-26(6-5-15-41-36(39)40)32(48)43-27(17-21(2)3)33(49)44-28(20-30(38)46)34(50)45-29(35(51)52)18-22-7-11-24(37)12-8-22/h7-14,21,26-29H,4-6,15-20H2,1-3H3,(H2,38,46)(H,42,47)(H,43,48)(H,44,49)(H,45,50)(H,51,52)(H4,39,40,41)/t26-,27-,28-,29-/m0/s1
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University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK2/cyclin A using fluoresceinyl-Ahx-Pro-Val-Lys-Arg-Arg-Leu-Phe-Gly as substrate after 45 mins by fluorescence pola...


Bioorg Med Chem 22: 616-22 (2013)


Article DOI: 10.1016/j.bmc.2013.10.039
BindingDB Entry DOI: 10.7270/Q2416ZHS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM50444661
PNG
(CHEMBL3098661)
Show SMILES CC(C)COc1ccc(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccc(F)cc2)C(O)=O)cc1
Show InChI InChI=1S/C37H53FN8O8/c1-21(2)16-28(34(50)45-29(19-31(39)47)35(51)46-30(36(52)53)17-23-7-11-25(38)12-8-23)44-33(49)27(6-5-15-42-37(40)41)43-32(48)18-24-9-13-26(14-10-24)54-20-22(3)4/h7-14,21-22,27-30H,5-6,15-20H2,1-4H3,(H2,39,47)(H,43,48)(H,44,49)(H,45,50)(H,46,51)(H,52,53)(H4,40,41,42)/t27-,28-,29-,30-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK2/cyclin A using fluoresceinyl-Ahx-Pro-Val-Lys-Arg-Arg-Leu-Phe-Gly as substrate after 45 mins by fluorescence pola...


Bioorg Med Chem 22: 616-22 (2013)


Article DOI: 10.1016/j.bmc.2013.10.039
BindingDB Entry DOI: 10.7270/Q2416ZHS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM50444668
PNG
(CHEMBL3098665)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c1ccc(Cn2cccn2)o1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C36H51N9O7/c1-5-23(4)30(34(49)43-28(35(50)51)20-24-11-7-6-8-12-24)44-32(47)27(19-22(2)3)42-31(46)26(13-9-16-39-36(37)38)41-33(48)29-15-14-25(52-29)21-45-18-10-17-40-45/h6-8,10-12,14-15,17-18,22-23,26-28,30H,5,9,13,16,19-21H2,1-4H3,(H,41,48)(H,42,46)(H,43,49)(H,44,47)(H,50,51)(H4,37,38,39)/t23-,26-,27-,28-,30-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK2/cyclin A using fluoresceinyl-Ahx-Pro-Val-Lys-Arg-Arg-Leu-Phe-Gly as substrate after 45 mins by fluorescence pola...


Bioorg Med Chem 22: 616-22 (2013)


Article DOI: 10.1016/j.bmc.2013.10.039
BindingDB Entry DOI: 10.7270/Q2416ZHS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM50444667
PNG
(CHEMBL3098664)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c1ccc(Cn2ccnc2)o1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C36H51N9O7/c1-5-23(4)30(34(49)43-28(35(50)51)19-24-10-7-6-8-11-24)44-32(47)27(18-22(2)3)42-31(46)26(12-9-15-40-36(37)38)41-33(48)29-14-13-25(52-29)20-45-17-16-39-21-45/h6-8,10-11,13-14,16-17,21-23,26-28,30H,5,9,12,15,18-20H2,1-4H3,(H,41,48)(H,42,46)(H,43,49)(H,44,47)(H,50,51)(H4,37,38,40)/t23-,26-,27-,28-,30-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK2/cyclin A using fluoresceinyl-Ahx-Pro-Val-Lys-Arg-Arg-Leu-Phe-Gly as substrate after 45 mins by fluorescence pola...


Bioorg Med Chem 22: 616-22 (2013)


Article DOI: 10.1016/j.bmc.2013.10.039
BindingDB Entry DOI: 10.7270/Q2416ZHS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM50444667
PNG
(CHEMBL3098664)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c1ccc(Cn2ccnc2)o1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C36H51N9O7/c1-5-23(4)30(34(49)43-28(35(50)51)19-24-10-7-6-8-11-24)44-32(47)27(18-22(2)3)42-31(46)26(12-9-15-40-36(37)38)41-33(48)29-14-13-25(52-29)20-45-17-16-39-21-45/h6-8,10-11,13-14,16-17,21-23,26-28,30H,5,9,12,15,18-20H2,1-4H3,(H,41,48)(H,42,46)(H,43,49)(H,44,47)(H,50,51)(H4,37,38,40)/t23-,26-,27-,28-,30-/m0/s1
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n/an/a 1.59E+5n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK4/cyclin D1 using fluoresceinyl-Ahx-Pro-Val-Lys-Arg-Arg-Leu-(3ClPhe)-Gly as substrate after 45 mins by fluorescenc...


Bioorg Med Chem 22: 616-22 (2013)


Article DOI: 10.1016/j.bmc.2013.10.039
BindingDB Entry DOI: 10.7270/Q2416ZHS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM50444670
PNG
(CHEMBL3098667)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c1ccc(Cn2cc(C)cn2)o1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C37H53N9O7/c1-6-24(5)31(35(50)44-29(36(51)52)18-25-11-8-7-9-12-25)45-33(48)28(17-22(2)3)43-32(47)27(13-10-16-40-37(38)39)42-34(49)30-15-14-26(53-30)21-46-20-23(4)19-41-46/h7-9,11-12,14-15,19-20,22,24,27-29,31H,6,10,13,16-18,21H2,1-5H3,(H,42,49)(H,43,47)(H,44,50)(H,45,48)(H,51,52)(H4,38,39,40)/t24-,27-,28-,29-,31-/m0/s1
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n/an/a>1.80E+5n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK4/cyclin D1 using fluoresceinyl-Ahx-Pro-Val-Lys-Arg-Arg-Leu-(3ClPhe)-Gly as substrate after 45 mins by fluorescenc...


Bioorg Med Chem 22: 616-22 (2013)


Article DOI: 10.1016/j.bmc.2013.10.039
BindingDB Entry DOI: 10.7270/Q2416ZHS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM50444672
PNG
(CHEMBL3098669)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c1csc(n1)-c1cccs1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C35H48N8O6S2/c1-5-21(4)28(32(47)41-25(34(48)49)18-22-11-7-6-8-12-22)43-30(45)24(17-20(2)3)40-29(44)23(13-9-15-38-35(36)37)39-31(46)26-19-51-33(42-26)27-14-10-16-50-27/h6-8,10-12,14,16,19-21,23-25,28H,5,9,13,15,17-18H2,1-4H3,(H,39,46)(H,40,44)(H,41,47)(H,43,45)(H,48,49)(H4,36,37,38)/t21-,23-,24-,25-,28-/m0/s1
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n/an/a>1.80E+5n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK4/cyclin D1 using fluoresceinyl-Ahx-Pro-Val-Lys-Arg-Arg-Leu-(3ClPhe)-Gly as substrate after 45 mins by fluorescenc...


Bioorg Med Chem 22: 616-22 (2013)


Article DOI: 10.1016/j.bmc.2013.10.039
BindingDB Entry DOI: 10.7270/Q2416ZHS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM50444671
PNG
(CHEMBL3098668)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c1csc(n1)-c1ccsc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C35H48N8O6S2/c1-5-21(4)28(32(47)41-26(34(48)49)17-22-10-7-6-8-11-22)43-30(45)25(16-20(2)3)40-29(44)24(12-9-14-38-35(36)37)39-31(46)27-19-51-33(42-27)23-13-15-50-18-23/h6-8,10-11,13,15,18-21,24-26,28H,5,9,12,14,16-17H2,1-4H3,(H,39,46)(H,40,44)(H,41,47)(H,43,45)(H,48,49)(H4,36,37,38)/t21-,24-,25-,26-,28-/m0/s1
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n/an/a>1.80E+5n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK4/cyclin D1 using fluoresceinyl-Ahx-Pro-Val-Lys-Arg-Arg-Leu-(3ClPhe)-Gly as substrate after 45 mins by fluorescenc...


Bioorg Med Chem 22: 616-22 (2013)


Article DOI: 10.1016/j.bmc.2013.10.039
BindingDB Entry DOI: 10.7270/Q2416ZHS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM50444672
PNG
(CHEMBL3098669)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)c1csc(n1)-c1cccs1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C35H48N8O6S2/c1-5-21(4)28(32(47)41-25(34(48)49)18-22-11-7-6-8-12-22)43-30(45)24(17-20(2)3)40-29(44)23(13-9-15-38-35(36)37)39-31(46)26-19-51-33(42-26)27-14-10-16-50-27/h6-8,10-12,14,16,19-21,23-25,28H,5,9,13,15,17-18H2,1-4H3,(H,39,46)(H,40,44)(H,41,47)(H,43,45)(H,48,49)(H4,36,37,38)/t21-,23-,24-,25-,28-/m0/s1
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n/an/a>1.80E+5n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK2/cyclin A using fluoresceinyl-Ahx-Pro-Val-Lys-Arg-Arg-Leu-Phe-Gly as substrate after 45 mins by fluorescence pola...


Bioorg Med Chem 22: 616-22 (2013)


Article DOI: 10.1016/j.bmc.2013.10.039
BindingDB Entry DOI: 10.7270/Q2416ZHS
More data for this
Ligand-Target Pair