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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 = 'BDBM92199'   
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))
BDBM92199
PNG
(erk000658)
Show SMILES Cc1cnc(Nc2ccc(F)cc2F)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C24H21F2N5O2/c1-14-11-28-24(30-19-8-7-17(25)10-18(19)26)31-22(14)16-9-20(27-12-16)23(33)29-21(13-32)15-5-3-2-4-6-15/h2-12,21,27,32H,13H2,1H3,(H,29,33)(H,28,30,31)/t21-/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))
BDBM92199
PNG
(erk000658)
Show SMILES Cc1cnc(Nc2ccc(F)cc2F)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C24H21F2N5O2/c1-14-11-28-24(30-19-8-7-17(25)10-18(19)26)31-22(14)16-9-20(27-12-16)23(33)29-21(13-32)15-5-3-2-4-6-15/h2-12,21,27,32H,13H2,1H3,(H,29,33)(H,28,30,31)/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
2n/an/an/an/an/an/an/an/a



CSAR



Assay Description
Assay 1 ...


CSAR 1: (2012)

More data for this
Ligand-Target Pair