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PubMed code 26733474

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
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
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50375654
PNG
(CHEMBL99203)
Show SMILES Nc1ncnc2n(cc(I)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C11H13IN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1
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PC cid
PC sid
PDB
UniChem
PDB
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Osaka Prefecture University

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin) by ELISA


Bioorg Med Chem Lett 26: 955-8 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50138920
PNG
(CHEMBL3752989)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
Show InChI InChI=1/C42H73N9O9/c1-8-26(6)35(41(58)49-32(21-24(2)3)39(56)46-27(7)36(53)50-34(42(59)60)22-25(4)5)51-40(57)33(23-28-15-17-29(52)18-16-28)48-38(55)31(14-10-12-20-44)47-37(54)30(45)13-9-11-19-43/h15-18,24-27,30-35,52H,8-14,19-23,43-45H2,1-7H3,(H,46,56)(H,47,54)(H,48,55)(H,49,58)(H,50,53)(H,51,57)(H,59,60)/t26-,27-,30-,31-,32-,33-,34-,35-/s2
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n/an/a 9.80E+3n/an/an/an/an/an/a



Osaka Prefecture University

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin) by ELISA


Bioorg Med Chem Lett 26: 955-8 (2016)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50139003
PNG
(CHEMBL3753529)
Show SMILES Cc1ccc(cc1C)-n1nnc2c1ncn(CC(=O)NCc1ccc3OCOc3c1)c2=O
Show InChI InChI=1S/C22H20N6O4/c1-13-3-5-16(7-14(13)2)28-21-20(25-26-28)22(30)27(11-24-21)10-19(29)23-9-15-4-6-17-18(8-15)32-12-31-17/h3-8,11H,9-10,12H2,1-2H3,(H,23,29)
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PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Osaka Prefecture University

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin) by ELISA


Bioorg Med Chem Lett 26: 955-8 (2016)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50139005
PNG
(CHEMBL3753412)
Show SMILES NC1=Nc2nc3cc4OCCCOc4cc3n2C(N1)c1ccc(OCc2cn3ccccc3n2)cc1 |t:1|
Show InChI InChI=1/C26H23N7O3/c27-25-30-24(33-20-13-22-21(34-10-3-11-35-22)12-19(20)29-26(33)31-25)16-5-7-18(8-6-16)36-15-17-14-32-9-2-1-4-23(32)28-17/h1-2,4-9,12-14,24H,3,10-11,15H2,(H3,27,29,30,31)
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PubMed
n/an/a 4.70E+4n/an/an/an/an/an/a



Osaka Prefecture University

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin) by ELISA


Bioorg Med Chem Lett 26: 955-8 (2016)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50139004
PNG
(CHEMBL3752694)
Show SMILES COc1cc2nc(NC(=O)c3csc(COc4ccc(F)cc4)n3)sc2cc1OC
Show InChI InChI=1S/C20H16FN3O4S2/c1-26-15-7-13-17(8-16(15)27-2)30-20(23-13)24-19(25)14-10-29-18(22-14)9-28-12-5-3-11(21)4-6-12/h3-8,10H,9H2,1-2H3,(H,23,24,25)
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PubMed
n/an/a 8.20E+4n/an/an/an/an/an/a



Osaka Prefecture University

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin) by ELISA


Bioorg Med Chem Lett 26: 955-8 (2016)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%