BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 31 hits Enz. Inhib. hit(s) with Target = 'ERK-2' AND taxid = 10116   
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
ERK-2


(Rattus norvegicus (rat))
BDBM50295874
PNG
(4-(1H-indol-3-yl)-5-(4-(trifluoromethyl)phenyl)pyr...)
Show SMILES Nc1ncc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C19H13F3N4/c20-19(21,22)12-7-5-11(6-8-12)14-9-25-18(23)26-17(14)15-10-24-16-4-2-1-3-13(15)16/h1-10,24H,(H2,23,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 580n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant Erk2


Citation and Details
More data for this
Ligand-Target Pair
ERK-2


(Rattus norvegicus (rat))
BDBM50392849
PNG
(CHEMBL2151190 | US9073941, 612)
Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc2OCOc2c1
Show InChI InChI=1S/C14H11N5O4/c1-18-13(20)10-12(16-14(18)21)19(2)17-11(15-10)7-3-4-8-9(5-7)23-6-22-8/h3-5H,6H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
n/an/a 1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat ERK2 using Ets1 (1 to 138) as substrate preincubated for 30 mins before [gamma-32P]-ATP addition measured after 10 mins by liquid s...


Citation and Details
More data for this
Ligand-Target Pair
ERK-2


(Rattus norvegicus (rat))
BDBM6878
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3n ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=S)Nc1c(F)cccc1F
Show InChI InChI=1S/C15H13F2N7O2S2/c16-10-2-1-3-11(17)12(10)21-15(27)24-13(18)22-14(23-24)20-8-4-6-9(7-5-8)28(19,25)26/h1-7H,(H,21,27)(H2,19,25,26)(H3,18,20,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 1.00E+3n/an/an/an/a8.030



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated...


Citation and Details
More data for this
Ligand-Target Pair
ERK-2


(Rattus norvegicus (rat))
BDBM50295878
PNG
(4-(1-Methyl-1H-indol-3-yl)-5-(pyridin-4-yl)pyrimid...)
Show SMILES Cn1cc(-c2nc(N)ncc2-c2ccncc2)c2ccccc12
Show InChI InChI=1S/C18H15N5/c1-23-11-15(13-4-2-3-5-16(13)23)17-14(10-21-18(19)22-17)12-6-8-20-9-7-12/h2-11H,1H3,(H2,19,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant Erk2


Citation and Details
More data for this
Ligand-Target Pair
ERK-2


(Rattus norvegicus (rat))
BDBM50295873
PNG
(4-[2-Amino-4-(1H-indol-3-yl)pyrimidin-5-yl]benzami...)
Show SMILES NC(=O)c1ccc(cc1)-c1cnc(N)nc1-c1c[nH]c2ccccc12
Show InChI InChI=1S/C19H15N5O/c20-18(25)12-7-5-11(6-8-12)14-9-23-19(21)24-17(14)15-10-22-16-4-2-1-3-13(15)16/h1-10,22H,(H2,20,25)(H2,21,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant Erk2


Citation and Details
More data for this
Ligand-Target Pair
ERK-2


(Rattus norvegicus (rat))
BDBM50295875
PNG
(4-(1H-Indol-3-yl)-5-(3-methoxyphenyl)pyrimidin-2-a...)
Show SMILES COc1cccc(c1)-c1cnc(N)nc1-c1c[nH]c2ccccc12
Show InChI InChI=1S/C19H16N4O/c1-24-13-6-4-5-12(9-13)15-10-22-19(20)23-18(15)16-11-21-17-8-3-2-7-14(16)17/h2-11,21H,1H3,(H2,20,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant Erk2


Citation and Details
More data for this
Ligand-Target Pair
ERK-2


(Rattus norvegicus (rat))
BDBM50295881
PNG
(4-(1H-indol-3-yl)-5-(4-(trifluoromethoxy)phenyl)py...)
Show SMILES Nc1ncc(-c2ccc(OC(F)(F)F)cc2)c(n1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C19H13F3N4O/c20-19(21,22)27-12-7-5-11(6-8-12)14-9-25-18(23)26-17(14)15-10-24-16-4-2-1-3-13(15)16/h1-10,24H,(H2,23,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant Erk2


Citation and Details
More data for this
Ligand-Target Pair
ERK-2


(Rattus norvegicus (rat))
BDBM50295872
PNG
(5-Iodo-4-(1-Methyl-1H-indol-3-yl)pyrimidin-2-amine...)
Show SMILES Cn1cc(-c2nc(N)ncc2I)c2ccccc12
Show InChI InChI=1S/C13H11IN4/c1-18-7-9(8-4-2-3-5-11(8)18)12-10(14)6-16-13(15)17-12/h2-7H,1H3,(H2,15,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant Erk2


Citation and Details
More data for this
Ligand-Target Pair
ERK-2


(Rattus norvegicus (rat))
BDBM50392851
PNG
(CHEMBL2151192)
Show SMILES Nc1[nH]n2c(nc(N)c3c(N)nnc23)c1NNc1ccc(Br)cc1
Show InChI InChI=1S/C13H13BrN10/c14-5-1-3-6(4-2-5)19-20-8-11(17)23-24-12-7(10(16)21-22-12)9(15)18-13(8)24/h1-4,19-20,23H,15,17H2,(H2,16,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
n/an/a 4.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat ERK2 using Ets1 (1 to 138) as substrate preincubated for 30 mins before [gamma-32P]-ATP addition measured after 10 mins by liquid s...


Citation and Details
More data for this
Ligand-Target Pair
ERK-2


(Rattus norvegicus (rat))
BDBM6870
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3f ...)
Show SMILES Cc1ccsc1C(=O)n1nc(Nc2ccc(cc2)S(N)(=O)=O)nc1N
Show InChI InChI=1S/C14H14N6O3S2/c1-8-6-7-24-11(8)12(21)20-13(15)18-14(19-20)17-9-2-4-10(5-3-9)25(16,22)23/h2-7H,1H3,(H2,16,22,23)(H3,15,17,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 5.90E+3n/an/an/an/a8.030



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated...


Citation and Details
More data for this
Ligand-Target Pair
ERK-2


(Rattus norvegicus (rat))
BDBM50295876
PNG
(4-(1H-Indol-3-yl)-5-(3-aminophenyl)pyrimidin-2-ami...)
Show SMILES Nc1cccc(c1)-c1cnc(N)nc1-c1c[nH]c2ccccc12
Show InChI InChI=1S/C18H15N5/c19-12-5-3-4-11(8-12)14-9-22-18(20)23-17(14)15-10-21-16-7-2-1-6-13(15)16/h1-10,21H,19H2,(H2,20,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 6.90E+3n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant Erk2


Citation and Details
More data for this
Ligand-Target Pair
ERK-2


(Rattus norvegicus (rat))
BDBM50295880
PNG
(4-[2-Amino-4-(1-methyl-1H-indol-3-yl)pyrimidin-5-y...)
Show SMILES Cn1cc(-c2nc(N)ncc2-c2ccc(cc2)C(N)=O)c2ccccc12
Show InChI InChI=1S/C20H17N5O/c1-25-11-16(14-4-2-3-5-17(14)25)18-15(10-23-20(22)24-18)12-6-8-13(9-7-12)19(21)26/h2-11H,1H3,(H2,21,26)(H2,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant Erk2


Citation and Details
More data for this
Ligand-Target Pair
ERK-2


(Rattus norvegicus (rat))
BDBM50392852
PNG
(CHEMBL2151193)
Show SMILES COc1ccc(cc1)-c1nnc2sc3c(ccc4ccccc34)n12
Show InChI InChI=1S/C19H13N3OS/c1-23-14-9-6-13(7-10-14)18-20-21-19-22(18)16-11-8-12-4-2-3-5-15(12)17(16)24-19/h2-11H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
n/an/a 7.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat ERK2 using Ets1 (1 to 138) as substrate preincubated for 30 mins before [gamma-32P]-ATP addition measured after 10 mins by liquid s...


Citation and Details
More data for this
Ligand-Target Pair
ERK-2


(Rattus norvegicus (rat))
BDBM6867
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3c ...)
Show SMILES Cc1ccc(F)c(C(=O)n2nc(Nc3ccc(cc3)S(N)(=O)=O)nc2N)c1F
Show InChI InChI=1S/C16H14F2N6O3S/c1-8-2-7-11(17)12(13(8)18)14(25)24-15(19)22-16(23-24)21-9-3-5-10(6-4-9)28(20,26)27/h2-7H,1H3,(H2,20,26,27)(H3,19,21,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 9.50E+3n/an/an/an/a8.030



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated...


Citation and Details
More data for this
Ligand-Target Pair
ERK-2


(Rattus norvegicus (rat))
BDBM50295883
PNG
(4-(1-Methyl-1H-indol-3-yl)-5,50-bipyrimidin-2-amin...)
Show SMILES Cn1cc(-c2nc(N)ncc2-c2cncnc2)c2ccccc12
Show InChI InChI=1S/C17H14N6/c1-23-9-14(12-4-2-3-5-15(12)23)16-13(8-21-17(18)22-16)11-6-19-10-20-7-11/h2-10H,1H3,(H2,18,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant Erk2


Citation and Details
More data for this
Ligand-Target Pair
ERK-2


(Rattus norvegicus (rat))
BDBM50292406
PNG
(CHEMBL485053 | leucettamine B)
Show SMILES CN1C(N)=NC(=Cc2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C12H11N3O3/c1-15-11(16)8(14-12(15)13)4-7-2-3-9-10(5-7)18-6-17-9/h2-5H,6H2,1H3,(H2,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

AffyNet 
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant ERK2 using Ets1 as substrate and [gamma33P]ATP as substrate after 30 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
ERK-2


(Rattus norvegicus (rat))
BDBM50295877
PNG
(4-[2-Amino-4-(1-methyl-1H-indol-3-yl)pyrimidin-5-y...)
Show SMILES Cn1cc(-c2nc(N)ncc2-c2ccc(cc2)C(O)=O)c2ccccc12
Show InChI InChI=1S/C20H16N4O2/c1-24-11-16(14-4-2-3-5-17(14)24)18-15(10-22-20(21)23-18)12-6-8-13(9-7-12)19(25)26/h2-11H,1H3,(H,25,26)(H2,21,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant Erk2


Citation and Details
More data for this
Ligand-Target Pair
ERK-2


(Rattus norvegicus (rat))
BDBM50295879
PNG
(4-(1-Methyl-1H-indol-3-yl)-5-(3-aminophenyl)pyrimi...)
Show SMILES Cn1cc(-c2nc(N)ncc2-c2cccc(N)c2)c2ccccc12
Show InChI InChI=1S/C19H17N5/c1-24-11-16(14-7-2-3-8-17(14)24)18-15(10-22-19(21)23-18)12-5-4-6-13(20)9-12/h2-11H,20H2,1H3,(H2,21,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant Erk2


Citation and Details
More data for this
Ligand-Target Pair
ERK-2


(Rattus norvegicus (rat))
BDBM50295882
PNG
(4-(1-Methyl-1H-indol-3-yl)-5-(3-methoxyphenyl)pyri...)
Show SMILES COc1cccc(c1)-c1cnc(N)nc1-c1cn(C)c2ccccc12
Show InChI InChI=1S/C20H18N4O/c1-24-12-17(15-8-3-4-9-18(15)24)19-16(11-22-20(21)23-19)13-6-5-7-14(10-13)25-2/h3-12H,1-2H3,(H2,21,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant Erk2


Citation and Details
More data for this
Ligand-Target Pair
ERK-2


(Rattus norvegicus (rat))
BDBM50295885
PNG
(5-(biphenyl-4-yl)-4-(1-methyl-1H-indol-3-yl)pyrimi...)
Show SMILES Cn1cc(-c2nc(N)ncc2-c2ccc(cc2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C25H20N4/c1-29-16-22(20-9-5-6-10-23(20)29)24-21(15-27-25(26)28-24)19-13-11-18(12-14-19)17-7-3-2-4-8-17/h2-16H,1H3,(H2,26,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant Erk2


Citation and Details
More data for this
Ligand-Target Pair
ERK-2


(Rattus norvegicus (rat))
BDBM50295884
PNG
(1-(4-(2-amino-4-(1-methyl-1H-indol-3-yl)pyrimidin-...)
Show SMILES CC(=O)c1ccc(cc1)-c1cnc(N)nc1-c1cn(C)c2ccccc12
Show InChI InChI=1S/C21H18N4O/c1-13(26)14-7-9-15(10-8-14)17-11-23-21(22)24-20(17)18-12-25(2)19-6-4-3-5-16(18)19/h3-12H,1-2H3,(H2,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Clermont Universit£

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant Erk2


Citation and Details
More data for this
Ligand-Target Pair
ERK-2


(Rattus norvegicus (rat))
BDBM15239
PNG
(4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidaz...)
Show SMILES Nc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H19FN6/c19-13-3-1-12(2-4-13)16-17(15-7-10-22-18(20)24-15)25(11-23-16)14-5-8-21-9-6-14/h1-4,7,10-11,14,21H,5-6,8-9H2,(H2,20,22,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PDB
PubMed
n/an/a 1.80E+4n/an/an/an/a7.537



University of Texas Southwestern Medical Center at Dallas



Assay Description
Kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 0.17 mM ATP/[gamma-32P] ATP. 32P incorp...


Structure 6: 1117-28 (1998)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ERK-2


(Rattus norvegicus (rat))
BDBM6866
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 1.94E+4n/an/an/an/a8.030



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated...


Citation and Details
More data for this
Ligand-Target Pair
ERK-2


(Rattus norvegicus (rat))
BDBM5718
PNG
(2,6,9-Trisubstituted purine deriv. 26 | 2-{[6-(ben...)
Show SMILES Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12
Show InChI InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
DrugBank
PDB
PubMed
n/an/a 2.70E+4n/an/an/an/a7.537



University of Texas Southwestern Medical Center at Dallas



Assay Description
Kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 0.17 mM ATP/[gamma-32P] ATP. 32P incorp...


Structure 6: 1117-28 (1998)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ERK-2


(Rattus norvegicus (rat))
BDBM50347750
PNG
(CHEMBL1802358)
Show SMILES O=C1NC(Nc2ccccc2)=NC1=Cc1ccc2OCOc2c1
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

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant ERK2 using Ets1 as substrate and [gamma33P]ATP as substrate after 30 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
ERK-2


(Rattus norvegicus (rat))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant ERK2 using Ets1 as substrate and [gamma33P]ATP as substrate after 30 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
ERK-2


(Rattus norvegicus (rat))
BDBM50392853
PNG
(CHEMBL2000337)
Show SMILES OC(=O)C(CC(=O)c1ccc2OCOc2c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C18H14O7/c19-13(11-2-4-15-17(6-11)25-9-23-15)7-12(18(20)21)10-1-3-14-16(5-10)24-8-22-14/h1-6,12H,7-9H2,(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
n/an/a 5.70E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat ERK2 using Ets1 (1 to 138) as substrate preincubated for 30 mins before [gamma-32P]-ATP addition measured after 10 mins by liquid s...


Citation and Details
More data for this
Ligand-Target Pair
ERK-2


(Rattus norvegicus (rat))
BDBM15238
PNG
(4-[1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imi...)
Show SMILES Nc1nccc(n1)-c1c(ncn1CC1CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H16FN5/c18-13-5-3-12(4-6-13)15-16(14-7-8-20-17(19)22-14)23(10-21-15)9-11-1-2-11/h3-8,10-11H,1-2,9H2,(H2,19,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/a>1.00E+5n/an/an/an/a7.537



University of Texas Southwestern Medical Center at Dallas



Assay Description
Kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 0.17 mM ATP/[gamma-32P] ATP. 32P incorp...


Structure 6: 1117-28 (1998)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
ERK-2


(Rattus norvegicus (rat))
BDBM15237
PNG
(4-[1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imi...)
Show SMILES Fc1ccc(cc1)-c1ncn(CC2CC2)c1-c1ccncc1
Show InChI InChI=1S/C18H16FN3/c19-16-5-3-14(4-6-16)17-18(15-7-9-20-10-8-15)22(12-21-17)11-13-1-2-13/h3-10,12-13H,1-2,11H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

AffyNet 
PubMed
n/an/a>1.00E+5n/an/an/an/a7.537



University of Texas Southwestern Medical Center at Dallas



Assay Description
Kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 0.17 mM ATP/[gamma-32P] ATP. 32P incorp...


Structure 6: 1117-28 (1998)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
ERK-2


(Rattus norvegicus (rat))
BDBM50392850
PNG
(CHEMBL2151191)
Show SMILES C[C@H]1[C@@H](C)[C@H](O[C@@H]1c1ccc2OCOc2c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C20H20O5/c1-11-12(2)20(14-4-6-16-18(8-14)24-10-22-16)25-19(11)13-3-5-15-17(7-13)23-9-21-15/h3-8,11-12,19-20H,9-10H2,1-2H3/t11-,12+,19-,20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
n/an/a 2.95E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat ERK2 using Ets1 (1 to 138) as substrate preincubated for 30 mins before [gamma-32P]-ATP addition measured after 10 mins by liquid s...


Citation and Details
More data for this
Ligand-Target Pair
ERK-2


(Rattus norvegicus (rat))
BDBM13336
PNG
(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/a>1.00E+6n/an/an/an/a7.537



University of Texas Southwestern Medical Center at Dallas



Assay Description
Kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 0.17 mM ATP/[gamma-32P] ATP. 32P incorp...


Structure 6: 1117-28 (1998)

More data for this
Ligand-Target Pair