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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 = 'BDBM92031'   
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))
BDBM92031
PNG
(erk000435)
Show SMILES Cc1ccc(cc1F)[C@@H](CO)NC(=O)c1cc(c[nH]1)-c1nc(Nc2ccccc2)ncc1C
Show InChI InChI=1S/C25H24FN5O2/c1-15-8-9-17(10-20(15)26)22(14-32)30-24(33)21-11-18(13-27-21)23-16(2)12-28-25(31-23)29-19-6-4-3-5-7-19/h3-13,22,27,32H,14H2,1-2H3,(H,30,33)(H,28,29,31)/t22-/m1/s1
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem

Similars

D3R
2n/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))
BDBM92031
PNG
(erk000435)
Show SMILES Cc1ccc(cc1F)[C@@H](CO)NC(=O)c1cc(c[nH]1)-c1nc(Nc2ccccc2)ncc1C
Show InChI InChI=1S/C25H24FN5O2/c1-15-8-9-17(10-20(15)26)22(14-32)30-24(33)21-11-18(13-27-21)23-16(2)12-28-25(31-23)29-19-6-4-3-5-7-19/h3-13,22,27,32H,14H2,1-2H3,(H,30,33)(H,28,29,31)/t22-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
2n/an/an/an/an/an/an/an/a



CSAR



Assay Description
Assay 1 ...


CSAR 1: (2012)

More data for this
Ligand-Target Pair