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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 = 'BDBM92041'   
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))
BDBM92041
PNG
(erk000447)
Show SMILES Cc1cnc(Nc2ccc(OC(F)(F)F)cc2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C25H22F3N5O3/c1-15-12-30-24(31-18-7-9-19(10-8-18)36-25(26,27)28)33-22(15)17-11-20(29-13-17)23(35)32-21(14-34)16-5-3-2-4-6-16/h2-13,21,29,34H,14H2,1H3,(H,32,35)(H,30,31,33)/t21-/m1/s1
PDB
MMDB

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KEGG

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PC cid
PC sid
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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))
BDBM92041
PNG
(erk000447)
Show SMILES Cc1cnc(Nc2ccc(OC(F)(F)F)cc2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C25H22F3N5O3/c1-15-12-30-24(31-18-7-9-19(10-8-18)36-25(26,27)28)33-22(15)17-11-20(29-13-17)23(35)32-21(14-34)16-5-3-2-4-6-16/h2-13,21,29,34H,14H2,1H3,(H,32,35)(H,30,31,33)/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