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Compile Data Set for Download or QSAR

Found 60 hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 5 regulatory subunit 1'   
Target
(Institution)
LigandTarget
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 5 regulatory subunit 1


(Homo sapiens (human))
BDBM50375644
PNG
(CHEMBL440411)
Show SMILES OS(=O)(=O)c1ccc2NC(=O)C(c2c1)c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H11N3O5S/c20-16-13(10-7-8(25(22,23)24)5-6-12(10)18-16)15-14(19-21)9-3-1-2-4-11(9)17-15/h1-7,13,17H,(H,18,20)(H,22,23,24)
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n/an/a 7n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Cdk5


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM59148
PNG
(Hymenialdisine, 28z)
Show SMILES Fc1ccc2[nH]c3c(C(CCNC3=O)=NNc3cccnc3Cl)c2c1
Show InChI InChI=1S/C17H13ClFN5O/c18-16-13(2-1-6-20-16)24-23-12-5-7-21-17(25)15-14(12)10-8-9(19)3-4-11(10)22-15/h1-4,6,8,22,24H,5,7H2,(H,21,25)
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n/an/a 12n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM59146
PNG
(Hymenialdisine, 28w)
Show SMILES Fc1ccc2[nH]c3c(C(CCNC3=O)=NNc3cccnc3)c2c1
Show InChI InChI=1S/C17H14FN5O/c18-10-3-4-13-12(8-10)15-14(5-7-20-17(24)16(15)21-13)23-22-11-2-1-6-19-9-11/h1-4,6,8-9,21-22H,5,7H2,(H,20,24)
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n/an/a 12n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM50005298
PNG
(CHEMBL337300)
Show SMILES Oc1[nH]c2ccc(I)cc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H10IN3O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)15-14(20-22)9-3-1-2-4-11(9)18-15/h1-7,18-19,21H
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n/an/a 20n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Cdk5


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM59137
PNG
(Hymenialdisine, 28p)
Show SMILES Clc1ccc2[nH]c3c(C(CCNC3=O)=NNc3cccnc3)c2c1
Show InChI InChI=1S/C17H14ClN5O/c18-10-3-4-13-12(8-10)15-14(5-7-20-17(24)16(15)21-13)23-22-11-2-1-6-19-9-11/h1-4,6,8-9,21-22H,5,7H2,(H,20,24)
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n/an/a 32n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM7491
PNG
((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...)
Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(Br)cc12
Show InChI InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)
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n/an/a 37n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM59140
PNG
(Hymenialdisine, 28ai)
Show SMILES Clc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccc(Cl)nc3)c2c1
Show InChI InChI=1S/C17H13Cl2N5O/c18-9-1-3-12-11(7-9)15-13(5-6-20-17(25)16(15)22-12)24-23-10-2-4-14(19)21-8-10/h1-4,7-8,22-23H,5-6H2,(H,20,25)
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n/an/a 50n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM59139
PNG
(Hymenialdisine, 28aa)
Show SMILES Clc1ccc2[nH]c3c(C(CCNC3=O)=NNc3cccnc3Cl)c2c1
Show InChI InChI=1S/C17H13Cl2N5O/c18-9-3-4-11-10(8-9)14-12(5-7-21-17(25)15(14)22-11)23-24-13-2-1-6-20-16(13)19/h1-4,6,8,22,24H,5,7H2,(H,21,25)
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n/an/a 50n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM50256043
PNG
((Z)-3-bromohymenialdisine | CHEMBL480350 | Hymenia...)
Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]c(Br)c(Br)c12
Show InChI InChI=1S/C11H9Br2N5O2/c12-5-4-3(6-10(20)18-11(14)17-6)1-2-15-9(19)7(4)16-8(5)13/h16H,1-2H2,(H,15,19)(H3,14,17,18,20)
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n/an/a 56n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM59142
PNG
(Hymenialdisine, 28n)
Show SMILES NS(=O)(=O)c1ccc(NN=C2CCNC(=O)c3[nH]c4ccc(Cl)cc4c23)cc1
Show InChI InChI=1S/C18H16ClN5O3S/c19-10-1-6-14-13(9-10)16-15(7-8-21-18(25)17(16)22-14)24-23-11-2-4-12(5-3-11)28(20,26)27/h1-6,9,22-23H,7-8H2,(H,21,25)(H2,20,26,27)
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n/an/a 59n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM59103
PNG
(Hymenialdisine, 15)
Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(Cl)c(Cl)c12
Show InChI InChI=1S/C11H9Cl2N5O2/c12-5-4-3(6-10(20)18-11(14)17-6)1-2-15-9(19)7(4)16-8(5)13/h16H,1-2H2,(H,15,19)(H3,14,17,18,20)
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n/an/a 62n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM59149
PNG
(Hymenialdisine, 28v)
Show SMILES NS(=O)(=O)c1ccc(NN=C2CCNC(=O)c3[nH]c4ccc(F)cc4c23)cc1
Show InChI InChI=1S/C18H16FN5O3S/c19-10-1-6-14-13(9-10)16-15(7-8-21-18(25)17(16)22-14)24-23-11-2-4-12(5-3-11)28(20,26)27/h1-6,9,22-23H,7-8H2,(H,21,25)(H2,20,26,27)
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n/an/a 63n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM59144
PNG
(Hymenialdisine, 28ac)
Show SMILES Fc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccc(Cl)cn3)c2c1
Show InChI InChI=1S/C17H13ClFN5O/c18-9-1-4-14(21-8-9)24-23-13-5-6-20-17(25)16-15(13)11-7-10(19)2-3-12(11)22-16/h1-4,7-8,22H,5-6H2,(H,20,25)(H,21,24)
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n/an/a 75n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM59102
PNG
(Hymenialdisine, 9)
Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]cc(Br)c12
Show InChI InChI=1S/C11H10BrN5O2/c12-5-3-15-8-6(5)4(1-2-14-9(8)18)7-10(19)17-11(13)16-7/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)
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n/an/a 79n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM59143
PNG
(Hymenialdisine, 28ad)
Show SMILES NS(=O)(=O)c1ccc(NN=C2CCNC(=O)c3[nH]c4ccc(Cl)cc4c23)nc1
Show InChI InChI=1S/C17H15ClN6O3S/c18-9-1-3-12-11(7-9)15-13(5-6-20-17(25)16(15)22-12)23-24-14-4-2-10(8-21-14)28(19,26)27/h1-4,7-8,22H,5-6H2,(H,20,25)(H,21,24)(H2,19,26,27)
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n/an/a 81n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM59130
PNG
(Hymenialdisine, 28t)
Show SMILES Fc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccccn3)c2c1
Show InChI InChI=1S/C17H14FN5O/c18-10-4-5-12-11(9-10)15-13(6-8-20-17(24)16(15)21-12)22-23-14-3-1-2-7-19-14/h1-5,7,9,21H,6,8H2,(H,19,23)(H,20,24)
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n/an/a 81n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM50132003
PNG
((Z)-1H,1''H-[2,3'']Biindolylidene-3,2''-dione 3-ox...)
Show SMILES Oc1[nH]c2ccccc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17-18,20H
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n/an/a 100n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Cdk5


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM59113
PNG
(Hymenialdisine, 27g)
Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3c(cccc3c12)N(=O)=O
Show InChI InChI=1S/C15H12N6O4/c16-15-19-11(14(23)20-15)7-4-5-17-13(22)12-9(7)6-2-1-3-8(21(24)25)10(6)18-12/h1-3,18H,4-5H2,(H,17,22)(H3,16,19,20,23)
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n/an/a 109n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM16591
PNG
((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...)
Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]ccc12
Show InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18)
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n/an/a 112n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM59136
PNG
(Hymenialdisine, 28ah)
Show SMILES Clc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccc(cn3)N(=O)=O)c2c1
Show InChI InChI=1S/C17H13ClN6O3/c18-9-1-3-12-11(7-9)15-13(5-6-19-17(25)16(15)21-12)22-23-14-4-2-10(8-20-14)24(26)27/h1-4,7-8,21H,5-6H2,(H,19,25)(H,20,23)
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n/an/a 118n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM59131
PNG
(Hymenialdisine, 28g)
Show SMILES Clc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccccn3)c2c1
Show InChI InChI=1S/C17H14ClN5O/c18-10-4-5-12-11(9-10)15-13(6-8-20-17(24)16(15)21-12)22-23-14-3-1-2-7-19-14/h1-5,7,9,21H,6,8H2,(H,19,23)(H,20,24)
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n/an/a 125n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM59150
PNG
(Hymenialdisine, 28ae)
Show SMILES NS(=O)(=O)c1ccc(NN=C2CCNC(=O)c3[nH]c4ccc(F)cc4c23)nc1
Show InChI InChI=1S/C17H15FN6O3S/c18-9-1-3-12-11(7-9)15-13(5-6-20-17(25)16(15)22-12)23-24-14-4-2-10(8-21-14)28(19,26)27/h1-4,7-8,22H,5-6H2,(H,20,25)(H,21,24)(H2,19,26,27)
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n/an/a 177n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM50256044
PNG
(5-(2-amino-4-oxo-1H-imidazol-5(4H)-ylidene)-2,3,4,...)
Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]c3ccccc3c12
Show InChI InChI=1S/C15H13N5O2/c16-15-19-11(14(22)20-15)8-5-6-17-13(21)12-10(8)7-3-1-2-4-9(7)18-12/h1-4,18H,5-6H2,(H,17,21)(H3,16,19,20,22)
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n/an/a 177n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM59107
PNG
(Hymenialdisine, 27c)
Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3ccc(F)cc3c12
Show InChI InChI=1S/C15H12FN5O2/c16-6-1-2-9-8(5-6)10-7(11-14(23)21-15(17)20-11)3-4-18-13(22)12(10)19-9/h1-2,5,19H,3-4H2,(H,18,22)(H3,17,20,21,23)
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n/an/a 177n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM59134
PNG
(Hymenialdisine, 28ab)
Show SMILES Clc1ccc(NN=C2CCNC(=O)c3[nH]c4ccc(Cl)cc4c23)nc1
Show InChI InChI=1S/C17H13Cl2N5O/c18-9-1-3-12-11(7-9)15-13(5-6-20-17(25)16(15)22-12)23-24-14-4-2-10(19)8-21-14/h1-4,7-8,22H,5-6H2,(H,20,25)(H,21,24)
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n/an/a 179n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM59114
PNG
(Hymenialdisine, 27i)
Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3c(N)cccc3c12
Show InChI InChI=1S/C15H14N6O2/c16-8-3-1-2-6-9-7(11-14(23)21-15(17)20-11)4-5-18-13(22)12(9)19-10(6)8/h1-3,19H,4-5,16H2,(H,18,22)(H3,17,20,21,23)
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n/an/a 187n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM59108
PNG
(Hymenialdisine, 27b)
Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3ccc(Cl)cc3c12
Show InChI InChI=1S/C15H12ClN5O2/c16-6-1-2-9-8(5-6)10-7(11-14(23)21-15(17)20-11)3-4-18-13(22)12(10)19-9/h1-2,5,19H,3-4H2,(H,18,22)(H3,17,20,21,23)
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n/an/a 191n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM59109
PNG
(Hymenialdisine, 27a)
Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3ccc(Br)cc3c12
Show InChI InChI=1S/C15H12BrN5O2/c16-6-1-2-9-8(5-6)10-7(11-14(23)21-15(17)20-11)3-4-18-13(22)12(10)19-9/h1-2,5,19H,3-4H2,(H,18,22)(H3,17,20,21,23)
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n/an/a 213n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM59104
PNG
(Hymenialdisine, 18)
Show SMILES CC1CC(=C2NC(N)=NC2=O)c2c(Br)c(Br)[nH]c2C(=O)N1
Show InChI InChI=1S/C12H11Br2N5O2/c1-3-2-4(7-10(20)19-12(15)18-7)5-6(13)9(14)17-8(5)11(21)16-3/h3,17H,2H2,1H3,(H,16,21)(H3,15,18,19,20)
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n/an/a 251n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM59141
PNG
(Hymenialdisine, 28o)
Show SMILES Clc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccncc3)c2c1
Show InChI InChI=1S/C17H14ClN5O/c18-10-1-2-13-12(9-10)15-14(5-8-20-17(24)16(15)21-13)23-22-11-3-6-19-7-4-11/h1-4,6-7,9,21H,5,8H2,(H,19,22)(H,20,24)
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n/an/a 433n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM59145
PNG
(Hymenialdisine, 28af)
Show SMILES Fc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccc(cn3)C(F)(F)F)c2c1
Show InChI InChI=1S/C18H13F4N5O/c19-10-2-3-12-11(7-10)15-13(5-6-23-17(28)16(15)25-12)26-27-14-4-1-9(8-24-14)18(20,21)22/h1-4,7-8,25H,5-6H2,(H,23,28)(H,24,27)
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n/an/a 437n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM59132
PNG
(Hymenialdisine, 28h)
Show SMILES Brc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccccn3)c2c1
Show InChI InChI=1S/C17H14BrN5O/c18-10-4-5-12-11(9-10)15-13(6-8-20-17(24)16(15)21-12)22-23-14-3-1-2-7-19-14/h1-5,7,9,21H,6,8H2,(H,19,23)(H,20,24)
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n/an/a 437n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM59105
PNG
(Hymenialdisine, 16)
Show SMILES CC(=O)NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(Br)c(Br)c12
Show InChI InChI=1S/C13H11Br2N5O3/c1-4(21)17-13-19-8(12(23)20-13)5-2-3-16-11(22)9-6(5)7(14)10(15)18-9/h18H,2-3H2,1H3,(H,16,22)(H2,17,19,20,21,23)
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n/an/a 533n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM59112
PNG
(Hymenialdisine, 27h)
Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3ccc(N)cc3c12
Show InChI InChI=1S/C15H14N6O2/c16-6-1-2-9-8(5-6)10-7(11-14(23)21-15(17)20-11)3-4-18-13(22)12(10)19-9/h1-2,5,19H,3-4,16H2,(H,18,22)(H3,17,20,21,23)
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n/an/a 681n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM59111
PNG
(Hymenialdisine, 27f)
Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3ccc(cc3c12)N(=O)=O
Show InChI InChI=1S/C15H12N6O4/c16-15-19-11(14(23)20-15)7-3-4-17-13(22)12-10(7)8-5-6(21(24)25)1-2-9(8)18-12/h1-2,5,18H,3-4H2,(H,17,22)(H3,16,19,20,23)
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n/an/a 713n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM59129
PNG
(Hymenialdisine, 28f)
Show SMILES O=C1NCCC(=NNc2ccccn2)c2c1[nH]c1ccccc21
Show InChI InChI=1S/C17H15N5O/c23-17-16-15(11-5-1-2-6-12(11)20-16)13(8-10-19-17)21-22-14-7-3-4-9-18-14/h1-7,9,20H,8,10H2,(H,18,22)(H,19,23)
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n/an/a 757n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM59135
PNG
(Hymenialdisine, 28ag)
Show SMILES FC(F)(F)c1ccc(NN=C2CCNC(=O)c3[nH]c4ccc(Cl)cc4c23)nc1
Show InChI InChI=1S/C18H13ClF3N5O/c19-10-2-3-12-11(7-10)15-13(5-6-23-17(28)16(15)25-12)26-27-14-4-1-9(8-24-14)18(20,21)22/h1-4,7-8,25H,5-6H2,(H,23,28)(H,24,27)
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n/an/a 869n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM59115
PNG
(Hymenialdisine, 27j)
Show SMILES CC1CC(=C2NC(N)=NC2=O)c2c([nH]c3ccc(Br)cc23)C(=O)N1
Show InChI InChI=1S/C16H14BrN5O2/c1-6-4-9(12-14(23)22-16(18)21-12)11-8-5-7(17)2-3-10(8)20-13(11)15(24)19-6/h2-3,5-6,20H,4H2,1H3,(H,19,24)(H3,18,21,22,23)
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n/an/a 1.01E+3n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM59110
PNG
(Hymenialdisine, 27e)
Show SMILES CS(=O)(=O)c1ccc2[nH]c3c(C(CCNC3=O)=C3NC(N)=NC3=O)c2c1
Show InChI InChI=1S/C16H15N5O4S/c1-26(24,25)7-2-3-10-9(6-7)11-8(12-15(23)21-16(17)20-12)4-5-18-14(22)13(11)19-10/h2-3,6,19H,4-5H2,1H3,(H,18,22)(H3,17,20,21,23)
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n/an/a 1.24E+3n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM59123
PNG
(Hymenialdisine, 28k)
Show SMILES Brc1[nH]c2c(c1Br)C(CCNC2=O)=NNc1ncccn1
Show InChI InChI=1S/C12H10Br2N6O/c13-8-7-6(19-20-12-16-3-1-4-17-12)2-5-15-11(21)9(7)18-10(8)14/h1,3-4,18H,2,5H2,(H,15,21)(H,16,17,20)
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n/an/a 1.88E+3n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM59147
PNG
(Hymenialdisine, 28x)
Show SMILES COc1ccc(NN=C2CCNC(=O)c3[nH]c4ccc(F)cc4c23)cn1
Show InChI InChI=1S/C18H16FN5O2/c1-26-15-5-3-11(9-21-15)23-24-14-6-7-20-18(25)17-16(14)12-8-10(19)2-4-13(12)22-17/h2-5,8-9,22-23H,6-7H2,1H3,(H,20,25)
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n/an/a 2.93E+3n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM59124
PNG
(Hymenialdisine, 28I)
Show SMILES Brc1[nH]c2c(c1Br)C(CCNC2=O)=NNc1cccnc1
Show InChI InChI=1S/C13H11Br2N5O/c14-10-9-8(20-19-7-2-1-4-16-6-7)3-5-17-13(21)11(9)18-12(10)15/h1-2,4,6,18-19H,3,5H2,(H,17,21)
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n/an/a 3.42E+3n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM59121
PNG
(Hymenialdisine, 28d)
Show SMILES Brc1[nH]c2c(c1Br)C(CCNC2=O)=NNc1ccc(cc1)N(=O)=O
Show InChI InChI=1S/C14H11Br2N5O3/c15-11-10-9(5-6-17-14(22)12(10)18-13(11)16)20-19-7-1-3-8(4-2-7)21(23)24/h1-4,18-19H,5-6H2,(H,17,22)
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n/an/a 3.80E+3n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


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More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM59116
PNG
(Hymenialdisine, 27k)
Show SMILES CC(=O)NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3ccc(Br)cc3c12
Show InChI InChI=1S/C17H14BrN5O3/c1-7(24)20-17-22-13(16(26)23-17)9-4-5-19-15(25)14-12(9)10-6-8(18)2-3-11(10)21-14/h2-3,6,21H,4-5H2,1H3,(H,19,25)(H2,20,22,23,24,26)
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n/an/a 5.11E+3n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM59138
PNG
(Hymenialdisine, 28y)
Show SMILES COc1ccc(NN=C2CCNC(=O)c3[nH]c4ccc(Cl)cc4c23)cn1
Show InChI InChI=1S/C18H16ClN5O2/c1-26-15-5-3-11(9-21-15)23-24-14-6-7-20-18(25)17-16(14)12-8-10(19)2-4-13(12)22-17/h2-5,8-9,22-23H,6-7H2,1H3,(H,20,25)
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n/an/a 5.31E+3n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM59128
PNG
(Hymenialdisine, 28s)
Show SMILES Clc1[nH]c2c(c1Cl)C(CCNC2=O)=NNc1ccccn1
Show InChI InChI=1S/C13H11Cl2N5O/c14-10-9-7(19-20-8-3-1-2-5-16-8)4-6-17-13(21)11(9)18-12(10)15/h1-3,5,18H,4,6H2,(H,16,20)(H,17,21)
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n/an/a 6.91E+3n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM59117
PNG
(CHEMBL151430 | Hymenialdisine, 11b)
Show SMILES Nc1ncc([nH]1)C1CCNC(=O)c2[nH]c(Br)c(Br)c12
Show InChI InChI=1S/C11H11Br2N5O/c12-7-6-4(5-3-16-11(14)17-5)1-2-15-10(19)8(6)18-9(7)13/h3-4,18H,1-2H2,(H,15,19)(H3,14,16,17)
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n/an/a 8.15E+3n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM59106
PNG
(Hymenialdisine, 17)
Show SMILES CCNC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(Br)c(Br)c12
Show InChI InChI=1S/C13H13Br2N5O2/c1-2-16-13-19-8(12(22)20-13)5-3-4-17-11(21)9-6(5)7(14)10(15)18-9/h18H,2-4H2,1H3,(H,17,21)(H2,16,19,20,22)
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n/an/a 9.12E+3n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM50361088
PNG
(CHEMBL1933582)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
Show InChI InChI=1S/C24H26F3N7O2/c1-32-9-11-34(12-10-32)15-3-4-21(36-24(25,26)27)18(13-15)31-23-29-7-5-17(30-23)20-14-16-19(33(20)2)6-8-28-22(16)35/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,28,35)(H,29,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of CDK5/P25


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (human))
BDBM50361089
PNG
(CHEMBL1933576)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
Show InChI InChI=1S/C22H24F3N7O2/c1-30-7-9-32(10-8-30)15-3-4-19(34-22(23,24)25)17(12-15)29-21-27-6-5-16(28-21)18-11-14(20(26)33)13-31(18)2/h3-6,11-13H,7-10H2,1-2H3,(H2,26,33)(H,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of CDK5/P25


Citation and Details
More data for this
Ligand-Target Pair
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