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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 = 'BDBM92089'   
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))
BDBM92089
PNG
(erk000517)
Show SMILES Cc1cnc(Nc2ccccn2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C23H22N6O2/c1-15-12-26-23(28-20-9-5-6-10-24-20)29-21(15)17-11-18(25-13-17)22(31)27-19(14-30)16-7-3-2-4-8-16/h2-13,19,25,30H,14H2,1H3,(H,27,31)(H,24,26,28,29)/t19-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
D3R
0.400n/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))
BDBM92089
PNG
(erk000517)
Show SMILES Cc1cnc(Nc2ccccn2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C23H22N6O2/c1-15-12-26-23(28-20-9-5-6-10-24-20)29-21(15)17-11-18(25-13-17)22(31)27-19(14-30)16-7-3-2-4-8-16/h2-13,19,25,30H,14H2,1H3,(H,27,31)(H,24,26,28,29)/t19-/m1/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
0.400n/an/an/an/an/an/an/an/a



CSAR



Assay Description
Assay 1 ...


CSAR 1: (2012)


Article DOI: 10.1021/acs.biochem.6b00786
More data for this
Ligand-Target Pair