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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' and Ligand = 'BDBM92129'   
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))
BDBM92129
PNG
(erk000565)
Show SMILES Cc1cnc(Nc2cccc(c2)[N+]([O-])=O)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C24H22N6O4/c1-15-12-26-24(27-18-8-5-9-19(11-18)30(33)34)29-22(15)17-10-20(25-13-17)23(32)28-21(14-31)16-6-3-2-4-7-16/h2-13,21,25,31H,14H2,1H3,(H,28,32)(H,26,27,29)/t21-/m1/s1
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem

Similars

D3R
3n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method2


D3R 222: (2015)


BindingDB Entry DOI: 10.7270/Q2S46QSD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM92129
PNG
(erk000565)
Show SMILES Cc1cnc(Nc2cccc(c2)[N+]([O-])=O)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C24H22N6O4/c1-15-12-26-24(27-18-8-5-9-19(11-18)30(33)34)29-22(15)17-10-20(25-13-17)23(32)28-21(14-31)16-6-3-2-4-7-16/h2-13,21,25,31H,14H2,1H3,(H,28,32)(H,26,27,29)/t21-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
3n/an/an/an/an/an/an/an/a



CSAR



Assay Description
Assay 1 ...


CSAR 1: (2012)

More data for this
Ligand-Target Pair