new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2346 hits with Last Name = 'lozach' and Initial = 'o'   
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 2 (CDK2)


(Homo sapiens (Human))
BDBM50371400
PNG
(MERIOLIN 5)
Show SMILES CCCOc1ccnc2[nH]cc(-c3ccnc(N)n3)c12
Show InChI InChI=1S/C14H15N5O/c1-2-7-20-11-4-6-16-13-12(11)9(8-18-13)10-3-5-17-14(15)19-10/h3-6,8H,2,7H2,1H3,(H,16,18)(H2,15,17,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
DrugBank
PDB
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK2/cyclin A expressed in insect cells


J Med Chem 51: 737-51 (2008)


Article DOI: 10.1021/jm700940h
BindingDB Entry DOI: 10.7270/Q2ZP46ZR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50371400
PNG
(MERIOLIN 5)
Show SMILES CCCOc1ccnc2[nH]cc(-c3ccnc(N)n3)c12
Show InChI InChI=1S/C14H15N5O/c1-2-7-20-11-4-6-16-13-12(11)9(8-18-13)10-3-5-17-14(15)19-10/h3-6,8H,2,7H2,1H3,(H,16,18)(H2,15,17,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-CDK5/p25 expressed in Escherichia coli


J Med Chem 51: 737-51 (2008)


Article DOI: 10.1021/jm700940h
BindingDB Entry DOI: 10.7270/Q2ZP46ZR
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50371399
PNG
(MERIOLIN 6)
Show SMILES CC(C)Oc1ccnc2[nH]cc(-c3ccnc(N)n3)c12
Show InChI InChI=1S/C14H15N5O/c1-8(2)20-11-4-6-16-13-12(11)9(7-18-13)10-3-5-17-14(15)19-10/h3-8H,1-2H3,(H,16,18)(H2,15,17,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-CDK5/p25 expressed in Escherichia coli


J Med Chem 51: 737-51 (2008)


Article DOI: 10.1021/jm700940h
BindingDB Entry DOI: 10.7270/Q2ZP46ZR
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Sus scrofa)
BDBM7401
PNG
((2 Z,3 E)-6-Bromoindirubin-3 -oxime | (3E)-6-bromo...)
Show SMILES Brc1ccc2C(C(=O)Nc2c1)c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,13,18H,(H,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of porcine brain GSK3beta using YRRAAVPPSPSLSRHSSPHQSpEDEEE as substrate


ACS Med Chem Lett 4: 22-26 (2013)


Article DOI: 10.1021/ml300207a
BindingDB Entry DOI: 10.7270/Q2Q81FD1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50371401
PNG
(MERIOLIN 4)
Show SMILES CCOc1ccnc2[nH]cc(-c3ccnc(N)n3)c12
Show InChI InChI=1S/C13H13N5O/c1-2-19-10-4-6-15-12-11(10)8(7-17-12)9-3-5-16-13(14)18-9/h3-7H,2H2,1H3,(H,15,17)(H2,14,16,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST-CDK5/p25 expressed in Escherichia coli


J Med Chem 51: 737-51 (2008)


Article DOI: 10.1021/jm700940h
BindingDB Entry DOI: 10.7270/Q2ZP46ZR
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50371399
PNG
(MERIOLIN 6)
Show SMILES CC(C)Oc1ccnc2[nH]cc(-c3ccnc(N)n3)c12
Show InChI InChI=1S/C14H15N5O/c1-8(2)20-11-4-6-16-13-12(11)9(7-18-13)10-3-5-17-14(15)19-10/h3-8H,1-2H3,(H,16,18)(H2,15,17,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.10n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK2/cyclin A expressed in insect cells


J Med Chem 51: 737-51 (2008)


Article DOI: 10.1021/jm700940h
BindingDB Entry DOI: 10.7270/Q2ZP46ZR
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50371399
PNG
(MERIOLIN 6)
Show SMILES CC(C)Oc1ccnc2[nH]cc(-c3ccnc(N)n3)c12
Show InChI InChI=1S/C14H15N5O/c1-8(2)20-11-4-6-16-13-12(11)9(7-18-13)10-3-5-17-14(15)19-10/h3-8H,1-2H3,(H,16,18)(H2,15,17,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.60n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK9/cyclin T expressed in insect cells


J Med Chem 51: 737-51 (2008)


Article DOI: 10.1021/jm700940h
BindingDB Entry DOI: 10.7270/Q2ZP46ZR
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50371400
PNG
(MERIOLIN 5)
Show SMILES CCCOc1ccnc2[nH]cc(-c3ccnc(N)n3)c12
Show InChI InChI=1S/C14H15N5O/c1-2-7-20-11-4-6-16-13-12(11)9(8-18-13)10-3-5-17-14(15)19-10/h3-6,8H,2,7H2,1H3,(H,16,18)(H2,15,17,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 5.60n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK9/cyclin T expressed in insect cells


J Med Chem 51: 737-51 (2008)


Article DOI: 10.1021/jm700940h
BindingDB Entry DOI: 10.7270/Q2ZP46ZR
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50371402
PNG
(MERIOLIN 3)
Show SMILES COc1ccnc2[nH]cc(-c3ccnc(N)n3)c12
Show InChI InChI=1S/C12H11N5O/c1-18-9-3-5-14-11-10(9)7(6-16-11)8-2-4-15-12(13)17-8/h2-6H,1H3,(H,14,16)(H2,13,15,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK9/cyclin T expressed in insect cells


J Med Chem 51: 737-51 (2008)


Article DOI: 10.1021/jm700940h
BindingDB Entry DOI: 10.7270/Q2ZP46ZR
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50097869
PNG
(CHEMBL3589662)
Show SMILES OC(=O)c1nc2ccccc2c2[nH]c3c(I)cccc3c12
Show InChI InChI=1S/C16H9IN2O2/c17-10-6-3-5-9-12-14(19-13(9)10)8-4-1-2-7-11(8)18-15(12)16(20)21/h1-7,19H,(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7478
PNG
(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 6n/an/an/an/an/a30



Universidad San Pablo CEU



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-33P] ATP. 33...


J Med Chem 48: 6843-54 (2005)


Article DOI: 10.1021/jm058013g
BindingDB Entry DOI: 10.7270/Q2GH9G44
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50304109
PNG
((Z)-5'-Nitro-1H,1'H-[2,3']biindolylidene-3,2'-dion...)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)C(c2c1)c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H10N4O4/c21-16-13(10-7-8(20(23)24)5-6-12(10)18-16)15-14(19-22)9-3-1-2-4-11(9)17-15/h1-7,13,17H,(H,18,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Universit£ de La Rochelle

Curated by ChEMBL


Assay Description
Inhibition of GST-fused CDK5/p25 expressed in Escherichia coli assessed as [gamma-33P]ATP incorporation after 10 mins by scintillation counting


Bioorg Med Chem 17: 6257-63 (2009)


Article DOI: 10.1016/j.bmc.2009.07.051
BindingDB Entry DOI: 10.7270/Q2BR8S9W
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50371401
PNG
(MERIOLIN 4)
Show SMILES CCOc1ccnc2[nH]cc(-c3ccnc(N)n3)c12
Show InChI InChI=1S/C13H13N5O/c1-2-19-10-4-6-15-12-11(10)8(7-17-12)9-3-5-16-13(14)18-9/h3-7H,2H2,1H3,(H,15,17)(H2,14,16,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK9/cyclin T expressed in insect cells


J Med Chem 51: 737-51 (2008)


Article DOI: 10.1021/jm700940h
BindingDB Entry DOI: 10.7270/Q2ZP46ZR
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50371401
PNG
(MERIOLIN 4)
Show SMILES CCOc1ccnc2[nH]cc(-c3ccnc(N)n3)c12
Show InChI InChI=1S/C13H13N5O/c1-2-19-10-4-6-15-12-11(10)8(7-17-12)9-3-5-16-13(14)18-9/h3-7H,2H2,1H3,(H,15,17)(H2,14,16,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK2/cyclin A expressed in insect cells


J Med Chem 51: 737-51 (2008)


Article DOI: 10.1021/jm700940h
BindingDB Entry DOI: 10.7270/Q2ZP46ZR
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM25045
PNG
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha by fluorescence based immunoassay


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7501
PNG
(4-{(Z)-[4,6-dihydroxy-7-(1-methylpiperidin-4-yl)-3...)
Show SMILES CN1CCC(CC1)c1c2O\C(=C/c3ccc(cc3)S(N)(=O)=O)C(=O)c2c(O)cc1O
Show InChI InChI=1S/C21H22N2O6S/c1-23-8-6-13(7-9-23)18-15(24)11-16(25)19-20(26)17(29-21(18)19)10-12-2-4-14(5-3-12)30(22,27)28/h2-5,10-11,13,24-25H,6-9H2,1H3,(H2,22,27,28)/b17-10-
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9n/an/an/an/a7.230



Novartis Pharmaceuticals



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence ATP/ [gamma-32P] ATP. 32P incorpo...


J Med Chem 45: 1741-7 (2002)


Article DOI: 10.1021/jm070079j
BindingDB Entry DOI: 10.7270/Q2707ZNJ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM59116
PNG
(Hymenialdisine, 27k)
Show SMILES CC(=O)NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3ccc(Br)cc3c12 |w:10.11,t:4|
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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>10n/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.


Chem Biol 11: 247-59 (2004)


Article DOI: 10.1016/j.chembiol.2004.01.015
BindingDB Entry DOI: 10.7270/Q2FN14M9
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50371402
PNG
(MERIOLIN 3)
Show SMILES COc1ccnc2[nH]cc(-c3ccnc(N)n3)c12
Show InChI InChI=1S/C12H11N5O/c1-18-9-3-5-14-11-10(9)7(6-16-11)8-2-4-15-12(13)17-8/h2-6H,1H3,(H,14,16)(H2,13,15,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
DrugBank
PDB
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK2/cyclin A expressed in insect cells


J Med Chem 51: 737-51 (2008)


Article DOI: 10.1021/jm700940h
BindingDB Entry DOI: 10.7270/Q2ZP46ZR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (Human))
BDBM59148
PNG
(Hymenialdisine, 28z)
Show SMILES Fc1ccc2[nH]c3c(C(CCNC3=O)=NNc3cccnc3Cl)c2c1 |w:14.15|
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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.


Chem Biol 11: 247-59 (2004)


Article DOI: 10.1016/j.chembiol.2004.01.015
BindingDB Entry DOI: 10.7270/Q2FN14M9
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 |w:14.15|
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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.


Chem Biol 11: 247-59 (2004)


Article DOI: 10.1016/j.chembiol.2004.01.015
BindingDB Entry DOI: 10.7270/Q2FN14M9
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50347750
PNG
(CHEMBL1802358)
Show SMILES O=C1NC(Nc2ccccc2)=NC1=Cc1ccc2OCOc2c1 |w:13.15,c:11|
Show InChI InChI=1S/C17H13N3O3/c21-16-13(8-11-6-7-14-15(9-11)23-10-22-14)19-17(20-16)18-12-4-2-1-3-5-12/h1-9H,10H2,(H2,18,19,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Universite£? de Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate


J Med Chem 54: 4172-86 (2011)


Article DOI: 10.1021/jm200274d
BindingDB Entry DOI: 10.7270/Q27D2VHR
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50097868
PNG
(CHEMBL3589661)
Show SMILES OC(=O)c1nc2ccccc2c2[nH]c3c(Br)cccc3c12
Show InChI InChI=1S/C16H9BrN2O2/c17-10-6-3-5-9-12-14(19-13(9)10)8-4-1-2-7-11(8)18-15(12)16(20)21/h1-7,19H,(H,20,21)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK2 expressed in Escherichia coli using RS peptide as substrate


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50140932
PNG
(CHEMBL3753668)
Show SMILES N#C\C(=C/c1cccnc1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C15H10N4/c16-8-12(7-11-3-1-5-17-9-11)14-10-19-15-13(14)4-2-6-18-15/h1-7,9-10H,(H,18,19)/b12-7+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50424266
PNG
(CHEMBL2314466)
Show SMILES CC[C@H](CO)Nc1nc(Nc2ccncc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C17H23N7O/c1-4-12(9-25)21-17-22-15(20-13-5-7-18-8-6-13)14-16(23-17)24(10-19-14)11(2)3/h5-8,10-12,25H,4,9H2,1-3H3,(H2,18,20,21,22,23)/t12-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CDK5/p25 after 30 mins by scintillation counting


Bioorg Med Chem Lett 23: 125-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.141
BindingDB Entry DOI: 10.7270/Q2J38TVS
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50208626
PNG
(CHEMBL3884821)
Show SMILES COc1ccc2c(c1)[nH]c1c2c(cc2cncc(OC)c12)C#N
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50371403
PNG
(MERIOLIN 2)
Show SMILES Nc1nccc(n1)-c1c[nH]c2nccc(O)c12
Show InChI InChI=1S/C11H9N5O/c12-11-14-3-1-7(16-11)6-5-15-10-9(6)8(17)2-4-13-10/h1-5H,(H2,12,14,16)(H2,13,15,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK2/cyclin A expressed in insect cells


J Med Chem 51: 737-51 (2008)


Article DOI: 10.1021/jm700940h
BindingDB Entry DOI: 10.7270/Q2ZP46ZR
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50097855
PNG
(CHEMBL3589666)
Show SMILES COc1ccc2c3[nH]c4c(Br)cccc4c3c(nc2c1)C(O)=O
Show InChI InChI=1S/C17H11BrN2O3/c1-23-8-5-6-9-12(7-8)19-16(17(21)22)13-10-3-2-4-11(18)14(10)20-15(9)13/h2-7,20H,1H3,(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50304111
PNG
(CHEMBL593698 | N-((Z)-3,2'-Dioxo-1,3,1',2'-tetrahy...)
Show SMILES CC(=O)Nc1ccc2NC(=O)\C(=C3/Nc4ccccc4C3=O)c2c1
Show InChI InChI=1S/C18H13N3O3/c1-9(22)19-10-6-7-14-12(8-10)15(18(24)21-14)16-17(23)11-4-2-3-5-13(11)20-16/h2-8,20H,1H3,(H,19,22)(H,21,24)/b16-15-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Universit£ de La Rochelle

Curated by ChEMBL


Assay Description
Inhibition of GST-fused CDK5/p25 expressed in Escherichia coli assessed as [gamma-33P]ATP incorporation after 10 mins by scintillation counting


Bioorg Med Chem 17: 6257-63 (2009)


Article DOI: 10.1016/j.bmc.2009.07.051
BindingDB Entry DOI: 10.7270/Q2BR8S9W
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50371403
PNG
(MERIOLIN 2)
Show SMILES Nc1nccc(n1)-c1c[nH]c2nccc(O)c12
Show InChI InChI=1S/C11H9N5O/c12-11-14-3-1-7(16-11)6-5-15-10-9(6)8(17)2-4-13-10/h1-5H,(H2,12,14,16)(H2,13,15,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK9/cyclin T expressed in insect cells


J Med Chem 51: 737-51 (2008)


Article DOI: 10.1021/jm700940h
BindingDB Entry DOI: 10.7270/Q2ZP46ZR
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50097868
PNG
(CHEMBL3589661)
Show SMILES OC(=O)c1nc2ccccc2c2[nH]c3c(Br)cccc3c12
Show InChI InChI=1S/C16H9BrN2O2/c17-10-6-3-5-9-12-14(19-13(9)10)8-4-1-2-7-11(8)18-15(12)16(20)21/h1-7,19H,(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50424264
PNG
(CHEMBL2314464)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccncc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C18H25N7O/c1-11(2)14(9-26)22-18-23-16(21-13-5-7-19-8-6-13)15-17(24-18)25(10-20-15)12(3)4/h5-8,10-12,14,26H,9H2,1-4H3,(H2,19,21,22,23,24)/t14-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CDK5/p25 after 30 mins by scintillation counting


Bioorg Med Chem Lett 23: 125-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.141
BindingDB Entry DOI: 10.7270/Q2J38TVS
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50097855
PNG
(CHEMBL3589666)
Show SMILES COc1ccc2c3[nH]c4c(Br)cccc4c3c(nc2c1)C(O)=O
Show InChI InChI=1S/C17H11BrN2O3/c1-23-8-5-6-9-12(7-8)19-16(17(21)22)13-10-3-2-4-11(18)14(10)20-15(9)13/h2-7,20H,1H3,(H,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate after 30 mins by scintillation counting analysis


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50140932
PNG
(CHEMBL3753668)
Show SMILES N#C\C(=C/c1cccnc1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C15H10N4/c16-8-12(7-11-3-1-5-17-9-11)14-10-19-15-13(14)4-2-6-18-15/h1-7,9-10H,(H,18,19)/b12-7+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 21n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50208628
PNG
(CHEMBL3885036)
Show SMILES COc1ccc2[nH]c3c(c(C#N)c([nH]c3=O)-c3cccnc3)c2c1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 21n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant CLK4 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50424270
PNG
(CHEMBL2314471)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccnc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C18H25N7O/c1-11(2)14(9-26)22-18-23-16(21-13-6-5-7-19-8-13)15-17(24-18)25(10-20-15)12(3)4/h5-8,10-12,14,26H,9H2,1-4H3,(H2,21,22,23,24)/t14-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CDK5/p25 after 30 mins by scintillation counting


Bioorg Med Chem Lett 23: 125-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.141
BindingDB Entry DOI: 10.7270/Q2J38TVS
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50097856
PNG
(CHEMBL3589667)
Show SMILES COc1ccc2c3[nH]c4c(I)cccc4c3c(nc2c1)C(O)=O
Show InChI InChI=1S/C17H11IN2O3/c1-23-8-5-6-9-12(7-8)19-16(17(21)22)13-10-3-2-4-11(18)14(10)20-15(9)13/h2-7,20H,1H3,(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50208711
PNG
(CHEMBL3885335)
Show SMILES COc1ccc2[nH]cc(-c3cc4cnccc4cc3NC(C)=O)c2c1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 22n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant CLK4 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50208635
PNG
(CHEMBL3883660)
Show SMILES COc1ccc2c(c1)[nH]c1c2c(cc2cnccc12)C#N
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 23n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50208626
PNG
(CHEMBL3884821)
Show SMILES COc1ccc2c(c1)[nH]c1c2c(cc2cncc(OC)c12)C#N
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 23n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50097854
PNG
(CHEMBL3589665)
Show SMILES COc1ccc2c3[nH]c4c(Cl)cccc4c3c(nc2c1)C(O)=O
Show InChI InChI=1S/C17H11ClN2O3/c1-23-8-5-6-9-12(7-8)19-16(17(21)22)13-10-3-2-4-11(18)14(10)20-15(9)13/h2-7,20H,1H3,(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50161356
PNG
(CHEMBL3786536)
Show SMILES Cc1cnc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)cn1
Show InChI InChI=1S/C16H12BrN3O/c1-8-2-3-9-7-11-14(10(9)6-8)19-16(18)20-15(11)12-4-5-13(17)21-12/h2-6H,7H2,1H3,(H2,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 23n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate


Eur J Med Chem 115: 311-25 (2016)


BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50097855
PNG
(CHEMBL3589666)
Show SMILES COc1ccc2c3[nH]c4c(Br)cccc4c3c(nc2c1)C(O)=O
Show InChI InChI=1S/C17H11BrN2O3/c1-23-8-5-6-9-12(7-8)19-16(17(21)22)13-10-3-2-4-11(18)14(10)20-15(9)13/h2-7,20H,1H3,(H,21,22)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK2 expressed in Escherichia coli using RS peptide as substrate


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50216171
PNG
(CHEMBL393545 | pyrrolo[3',4':5,6]indolizino[8,7-b]...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1cccn21
Show InChI InChI=1S/C16H9N3O2/c20-15-12-11-8-4-1-2-5-9(8)17-13(11)10-6-3-7-19(10)14(12)16(21)18-15/h1-7,17H,(H,18,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Universit£ Paul Sabatier

Curated by ChEMBL


Assay Description
Inhibition of human Chk1


Eur J Med Chem 54: 626-36 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.012
BindingDB Entry DOI: 10.7270/Q21R6RKH
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50440393
PNG
(CHEMBL2425487)
Show SMILES COc1cc(C)c(cc1O)-c1c2c(n3ccc4cc(O)c(OC)cc4c13)c(=O)oc1cc(O)c(OC)cc21 |(16.62,-7.37,;16.15,-8.84,;17.19,-9.98,;18.7,-9.65,;19.73,-10.79,;20.82,-9.69,;19.26,-12.26,;17.76,-12.59,;16.72,-11.45,;15.22,-11.78,;20.29,-13.4,;21.81,-13.23,;22.44,-14.64,;21.3,-15.66,;21.32,-17.21,;19.98,-17.98,;18.65,-17.22,;17.32,-17.99,;15.98,-17.22,;14.65,-17.99,;15.98,-15.68,;14.65,-14.91,;14.65,-13.37,;17.31,-14.91,;18.65,-15.67,;19.97,-14.9,;23.96,-14.8,;24.58,-16.21,;24.87,-13.56,;24.25,-12.15,;25.16,-10.91,;24.53,-9.49,;25.44,-8.25,;22.99,-9.33,;22.36,-7.93,;23.26,-6.68,;22.08,-10.58,;22.71,-11.99,)|
Show InChI InChI=1S/C29H23NO8/c1-13-7-22(35-2)19(32)9-15(13)25-26-17-11-24(37-4)20(33)12-21(17)38-29(34)28(26)30-6-5-14-8-18(31)23(36-3)10-16(14)27(25)30/h5-12,31-33H,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of recombinant CDK5/p25 (unknown origin) expressed in Escherichia coli using [gamma-33P]ATP after 30 mins


J Med Chem 56: 7289-301 (2013)


Article DOI: 10.1021/jm400719y
BindingDB Entry DOI: 10.7270/Q2W37XQZ
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50424272
PNG
(CHEMBL2314473)
Show SMILES CC[C@H](CO)Nc1nc(Nc2cccnc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C17H23N7O/c1-4-12(9-25)21-17-22-15(20-13-6-5-7-18-8-13)14-16(23-17)24(10-19-14)11(2)3/h5-8,10-12,25H,4,9H2,1-3H3,(H2,20,21,22,23)/t12-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CDK5/p25 after 30 mins by scintillation counting


Bioorg Med Chem Lett 23: 125-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.141
BindingDB Entry DOI: 10.7270/Q2J38TVS
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50208635
PNG
(CHEMBL3883660)
Show SMILES COc1ccc2c(c1)[nH]c1c2c(cc2cnccc12)C#N
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 25n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...


Eur J Med Chem 124: 920-934 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.069
BindingDB Entry DOI: 10.7270/Q24X59S3
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50399310
PNG
(CHEMBL2180854)
Show SMILES Brc1ccnc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)c1
Show InChI InChI=1S/C18H17BrN4O2/c19-11-7-8-20-15(10-11)22-18(25)21-13-5-3-4-12-16(13)14-6-1-2-9-23(14)17(12)24/h3-5,7-8,10,14H,1-2,6,9H2,(H2,20,21,22,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate and [gamma-33P]-ATP after 30 mins by scintillation counting


J Med Chem 55: 9589-606 (2012)


Article DOI: 10.1021/jm3008536
BindingDB Entry DOI: 10.7270/Q28S4R2J
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50161347
PNG
(CHEMBL3786624)
Show SMILES O=Cc1cccc(NC(=O)Nc2cccc3C(=O)N4CCCCC4c23)n1
Show InChI InChI=1S/C16H13N3O/c1-9-4-5-10-8-12-14(11(10)7-9)18-16(17)19-15(12)13-3-2-6-20-13/h2-7H,8H2,1H3,(H2,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 25n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using histone H1 as substrate


Eur J Med Chem 115: 311-25 (2016)


BindingDB Entry DOI: 10.7270/Q2JM2CHT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50077360
PNG
(3,10-Dihydroxy-13-(3-hydroxy-4-methoxy-phenyl)-2,1...)
Show SMILES COc1ccc(cc1O)-c1c2c(n3ccc4cc(O)c(OC)cc4c13)c(=O)oc1cc(O)c(OC)cc21
Show InChI InChI=1S/C28H21NO8/c1-34-20-5-4-14(9-17(20)30)24-25-16-11-23(36-3)19(32)12-21(16)37-28(33)27(25)29-7-6-13-8-18(31)22(35-2)10-15(13)26(24)29/h4-12,30-32H,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of recombinant CDK5/p25 (unknown origin) expressed in Escherichia coli using [gamma-33P]ATP after 30 mins


J Med Chem 56: 7289-301 (2013)


Article DOI: 10.1021/jm400719y
BindingDB Entry DOI: 10.7270/Q2W37XQZ
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50097854
PNG
(CHEMBL3589665)
Show SMILES COc1ccc2c3[nH]c4c(Cl)cccc4c3c(nc2c1)C(O)=O
Show InChI InChI=1S/C17H11ClN2O3/c1-23-8-5-6-9-12(7-8)19-16(17(21)22)13-10-3-2-4-11(18)14(10)20-15(9)13/h2-7,20H,1H3,(H,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate after 30 mins by scintillation counting analysis


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 2346 total )  |  Next  |  Last  >>
Jump to: