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Compile Data Set for Download or QSAR

Found 25 hits of ki for UniProtKB: Q15078   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50113281
PNG
(AT-7519)
Show SMILES Clc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCNCC1
Show InChI InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)
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18n/an/an/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length N-terminal His6-tagged CDK5/N-terminal GST-tagged p25 expressed in baculovirus infected Sf21 insect cells...


J Med Chem 59: 8667-8684 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00150
BindingDB Entry DOI: 10.7270/Q2G73GP8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50395894
PNG
(CHEMBL2163771)
Show SMILES Oc1cnc2oc3c(cc(O)c4ccccc34)c2c1-c1ccccc1
Show InChI InChI=1S/C21H13NO3/c23-16-10-15-19-18(12-6-2-1-3-7-12)17(24)11-22-21(19)25-20(15)14-9-5-4-8-13(14)16/h1-11,23-24H
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70n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50395892
PNG
(CHEMBL2163772)
Show SMILES Oc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C17H11NO3/c19-11-6-7-14-12(8-11)16-15(10-4-2-1-3-5-10)13(20)9-18-17(16)21-14/h1-9,19-20H
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110n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50525155
PNG
(CHEMBL4561424)
Show SMILES NS(=O)(=O)c1cccc(Nc2ncc3CCCCc3n2)c1
Show InChI InChI=1S/C14H16N4O2S/c15-21(19,20)12-6-3-5-11(8-12)17-14-16-9-10-4-1-2-7-13(10)18-14/h3,5-6,8-9H,1-2,4,7H2,(H2,15,19,20)(H,16,17,18)
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160n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length N-terminal GST tagged human CDK5/p25 expressed in baculovirus infected sf9 cells using histone H1 as substrate ...


ACS Med Chem Lett 10: 786-791 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00029
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50133557
PNG
(1-[2-(2,6-Dichloro-benzyl)-thiazol-4-yl]-3-morphol...)
Show SMILES Clc1cccc(Cl)c1Cc1nc(NC(=O)NN2CCOCC2)cs1
Show InChI InChI=1S/C15H16Cl2N4O2S/c16-11-2-1-3-12(17)10(11)8-14-18-13(9-24-14)19-15(22)20-21-4-6-23-7-5-21/h1-3,9H,4-8H2,(H2,19,20,22)
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500n/an/an/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Inhibition of Tau Protein Kinase II (TPK II)


Bioorg Med Chem Lett 13: 3491-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00726-1
BindingDB Entry DOI: 10.7270/Q2XG9QHN
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50525156
PNG
(CHEMBL4476248)
Show SMILES Cc1cccc(Nc2ncc3CCCCc3n2)c1
Show InChI InChI=1S/C15H17N3/c1-11-5-4-7-13(9-11)17-15-16-10-12-6-2-3-8-14(12)18-15/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,16,17,18)
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800n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length N-terminal GST tagged human CDK5/p25 expressed in baculovirus infected sf9 cells using histone H1 as substrate ...


ACS Med Chem Lett 10: 786-791 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00029
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50525162
PNG
(CHEMBL4434651)
Show SMILES C1CCc2nc(Nc3ccccc3)ncc2C1
Show InChI InChI=1S/C14H15N3/c1-2-7-12(8-3-1)16-14-15-10-11-6-4-5-9-13(11)17-14/h1-3,7-8,10H,4-6,9H2,(H,15,16,17)
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880n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length N-terminal GST tagged human CDK5/p25 expressed in baculovirus infected sf9 cells using histone H1 as substrate ...


ACS Med Chem Lett 10: 786-791 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00029
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50525160
PNG
(CHEMBL4522230)
Show SMILES Cc1ccccc1Nc1ncc2CCCCc2n1
Show InChI InChI=1S/C15H17N3/c1-11-6-2-4-8-13(11)17-15-16-10-12-7-3-5-9-14(12)18-15/h2,4,6,8,10H,3,5,7,9H2,1H3,(H,16,17,18)
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990n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length N-terminal GST tagged human CDK5/p25 expressed in baculovirus infected sf9 cells using histone H1 as substrate ...


ACS Med Chem Lett 10: 786-791 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00029
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50525157
PNG
(CHEMBL4460155)
Show SMILES COc1cccc(Nc2ncc3CCCCc3n2)c1
Show InChI InChI=1S/C15H17N3O/c1-19-13-7-4-6-12(9-13)17-15-16-10-11-5-2-3-8-14(11)18-15/h4,6-7,9-10H,2-3,5,8H2,1H3,(H,16,17,18)
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1.01E+3n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length N-terminal GST tagged human CDK5/p25 expressed in baculovirus infected sf9 cells using histone H1 as substrate ...


ACS Med Chem Lett 10: 786-791 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00029
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50525158
PNG
(CHEMBL4515564)
Show SMILES CCc1cccc(Nc2ncc3CCCCc3n2)c1
Show InChI InChI=1S/C16H19N3/c1-2-12-6-5-8-14(10-12)18-16-17-11-13-7-3-4-9-15(13)19-16/h5-6,8,10-11H,2-4,7,9H2,1H3,(H,17,18,19)
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1.23E+3n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length N-terminal GST tagged human CDK5/p25 expressed in baculovirus infected sf9 cells using histone H1 as substrate ...


ACS Med Chem Lett 10: 786-791 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00029
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50525159
PNG
(CHEMBL4471293)
Show SMILES [O-][N+](=O)c1cccc(Nc2ncc3CCCCc3n2)c1
Show InChI InChI=1S/C14H14N4O2/c19-18(20)12-6-3-5-11(8-12)16-14-15-9-10-4-1-2-7-13(10)17-14/h3,5-6,8-9H,1-2,4,7H2,(H,15,16,17)
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1.26E+3n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length N-terminal GST tagged human CDK5/p25 expressed in baculovirus infected sf9 cells using histone H1 as substrate ...


ACS Med Chem Lett 10: 786-791 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00029
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50463479
PNG
(CHEMBL4249925)
Show SMILES CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
Show InChI InChI=1S/C19H17N5O3S2/c1-29(26,27)24-13-5-2-4-12(8-13)9-17(25)23-19-22-16(11-28-19)15-10-21-18-14(15)6-3-7-20-18/h2-8,10-11,24H,9H2,1H3,(H,20,21)(H,22,23,25)
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1.30E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p35 (unknown origin)


Bioorg Med Chem Lett 28: 2622-2626 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.040
BindingDB Entry DOI: 10.7270/Q2ZC85HX
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50525161
PNG
(CHEMBL4557901)
Show SMILES Cc1ccc(Nc2ncc3CCCCc3n2)cc1
Show InChI InChI=1S/C15H17N3/c1-11-6-8-13(9-7-11)17-15-16-10-12-4-2-3-5-14(12)18-15/h6-10H,2-5H2,1H3,(H,16,17,18)
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1.44E+3n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length N-terminal GST tagged human CDK5/p25 expressed in baculovirus infected sf9 cells using histone H1 as substrate ...


ACS Med Chem Lett 10: 786-791 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00029
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50525154
PNG
(CHEMBL4581547)
Show SMILES COc1ccc(Nc2ncc3CCCc3n2)cc1
Show InChI InChI=1S/C14H15N3O/c1-18-12-7-5-11(6-8-12)16-14-15-9-10-3-2-4-13(10)17-14/h5-9H,2-4H2,1H3,(H,15,16,17)
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1.72E+3n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length N-terminal GST tagged human CDK5/p25 expressed in baculovirus infected sf9 cells using histone H1 as substrate ...


ACS Med Chem Lett 10: 786-791 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00029
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50463483
PNG
(CHEMBL4245242)
Show SMILES O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C26H29N5O2S/c32-24(31-26-30-23(17-34-26)22-16-29-25-21(22)7-2-10-28-25)15-19-4-1-6-20(14-19)33-13-3-5-18-8-11-27-12-9-18/h1-2,4,6-7,10,14,16-18,27H,3,5,8-9,11-13,15H2,(H,28,29)(H,30,31,32)
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>2.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p35 (unknown origin)


Bioorg Med Chem Lett 28: 2622-2626 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.040
BindingDB Entry DOI: 10.7270/Q2ZC85HX
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50463484
PNG
(CHEMBL4248525)
Show SMILES CN1CCN(CCCOc2cccc(CC(=O)Nc3nc(cs3)-c3c[nH]c4ncccc34)c2)CC1
Show InChI InChI=1S/C26H30N6O2S/c1-31-10-12-32(13-11-31)9-4-14-34-20-6-2-5-19(15-20)16-24(33)30-26-29-23(18-35-26)22-17-28-25-21(22)7-3-8-27-25/h2-3,5-8,15,17-18H,4,9-14,16H2,1H3,(H,27,28)(H,29,30,33)
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>2.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p35 (unknown origin)


Bioorg Med Chem Lett 28: 2622-2626 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.040
BindingDB Entry DOI: 10.7270/Q2ZC85HX
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50525163
PNG
(CHEMBL4566271)
Show SMILES O=C(Nc1cccc(CN2CCCC2)c1)c1n[nH]c2ccccc12
Show InChI InChI=1S/C19H20N4O/c24-19(18-16-8-1-2-9-17(16)21-22-18)20-15-7-5-6-14(12-15)13-23-10-3-4-11-23/h1-2,5-9,12H,3-4,10-11,13H2,(H,20,24)(H,21,22)
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2.03E+3n/an/an/an/an/an/an/an/a



University of South Australia

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length N-terminal GST tagged human CDK5/p25 expressed in baculovirus infected sf9 cells using histone H1 as substrate ...


ACS Med Chem Lett 10: 786-791 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00029
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50395887
PNG
(CHEMBL2163770)
Show SMILES Oc1cc2c(oc3ncc(OCc4ccccc4)c(-c4ccccc4)c23)c2ccccc12
Show InChI InChI=1S/C28H19NO3/c30-23-15-22-26-25(19-11-5-2-6-12-19)24(31-17-18-9-3-1-4-10-18)16-29-28(26)32-27(22)21-14-8-7-13-20(21)23/h1-16,30H,17H2
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2.10E+3n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50395888
PNG
(CHEMBL2163769)
Show SMILES Cc1cc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2cc1O
Show InChI InChI=1S/C25H19NO3/c1-16-12-21-19(13-20(16)27)24-23(18-10-6-3-7-11-18)22(14-26-25(24)29-21)28-15-17-8-4-2-5-9-17/h2-14,27H,15H2,1H3
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2.53E+4n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50395890
PNG
(CHEMBL2163774)
Show SMILES COc1ccc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C25H19NO3/c1-27-19-12-13-21-20(14-19)24-23(18-10-6-3-7-11-18)22(15-26-25(24)29-21)28-16-17-8-4-2-5-9-17/h2-15H,16H2,1H3
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2.61E+4n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7453
PNG
(1-aza-9-oxafluorene deriv. 7b | 4-methoxy-3-phenyl...)
Show SMILES COc1cnc2oc3ccc(O)cc3c2c1-c1ccccc1
Show InChI InChI=1S/C18H13NO3/c1-21-15-10-19-18-17(16(15)11-5-3-2-4-6-11)13-9-12(20)7-8-14(13)22-18/h2-10,20H,1H3
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2.17E+5n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50331612
PNG
(CHEMBL1290072 | N-(4-methoxybenzyl)benzofuro[2,3-b...)
Show SMILES COc1ccc(CNc2ccnc3oc4ccccc4c23)cc1
Show InChI InChI=1S/C19H16N2O2/c1-22-14-8-6-13(7-9-14)12-21-16-10-11-20-19-18(16)15-4-2-3-5-17(15)23-19/h2-11H,12H2,1H3,(H,20,21)
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of human CDK5/p25


Bioorg Med Chem Lett 20: 6915-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.004
BindingDB Entry DOI: 10.7270/Q2GF0TQS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50395893
PNG
(CHEMBL1165662)
Show SMILES Oc1ccc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C24H17NO3/c26-18-11-12-20-19(13-18)23-22(17-9-5-2-6-10-17)21(14-25-24(23)28-20)27-15-16-7-3-1-4-8-16/h1-14,26H,15H2
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50395891
PNG
(CHEMBL2163773)
Show SMILES COc1ccc2oc3ncc(OC)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C19H15NO3/c1-21-13-8-9-15-14(10-13)18-17(12-6-4-3-5-7-12)16(22-2)11-20-19(18)23-15/h3-11H,1-2H3
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50395889
PNG
(CHEMBL2163768)
Show SMILES COc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C18H13NO3/c1-21-12-7-8-15-13(9-12)17-16(11-5-3-2-4-6-11)14(20)10-19-18(17)22-15/h2-10,20H,1H3
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair