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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 = 'BDBM92094'   
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))
BDBM92094
PNG
(erk000522)
Show SMILES CC(C)Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(C)c1
Show InChI InChI=1S/C22H27N5O2/c1-13(2)25-22-24-10-15(4)20(27-22)17-9-18(23-11-17)21(29)26-19(12-28)16-7-5-6-14(3)8-16/h5-11,13,19,23,28H,12H2,1-4H3,(H,26,29)(H,24,25,27)/t19-/m1/s1
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem
D3R
1n/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))
BDBM92094
PNG
(erk000522)
Show SMILES CC(C)Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(C)c1
Show InChI InChI=1S/C22H27N5O2/c1-13(2)25-22-24-10-15(4)20(27-22)17-9-18(23-11-17)21(29)26-19(12-28)16-7-5-6-14(3)8-16/h5-11,13,19,23,28H,12H2,1-4H3,(H,26,29)(H,24,25,27)/t19-/m1/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
1n/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