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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 2' and Ligand = 'BDBM51866'   
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 2


(Homo sapiens)
BDBM51866
PNG
(LW-LW | MLS000562577 | SMR000391050 | cid_16196578)
Show SMILES Cl.CC(C)C[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C
Show InChI InChI=1S/C56H76N18O5.ClH/c1-6-24-77-26-28-79-29-27-78-25-15-59-54-62-55(71-20-16-69(17-21-71)52(75)50(34-42-32-40-11-7-9-13-46(40)60-42)73-36-48(65-67-73)44(57)30-38(2)3)64-56(63-54)72-22-18-70(19-23-72)53(76)51(35-43-33-41-12-8-10-14-47(41)61-43)74-37-49(66-68-74)45(58)31-39(4)5;/h1,7-14,32-33,36-39,44-45,50-51,60-61H,15-31,34-35,57-58H2,2-5H3,(H,59,62,63,64);1H/t44-,45-,50-,51-;/m0./s1
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PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens)
BDBM51866
PNG
(LW-LW | MLS000562577 | SMR000391050 | cid_16196578)
Show SMILES Cl.CC(C)C[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C
Show InChI InChI=1S/C56H76N18O5.ClH/c1-6-24-77-26-28-79-29-27-78-25-15-59-54-62-55(71-20-16-69(17-21-71)52(75)50(34-42-32-40-11-7-9-13-46(40)60-42)73-36-48(65-67-73)44(57)30-38(2)3)64-56(63-54)72-22-18-70(19-23-72)53(76)51(35-43-33-41-12-8-10-14-47(41)61-43)74-37-49(66-68-74)45(58)31-39(4)5;/h1,7-14,32-33,36-39,44-45,50-51,60-61H,15-31,34-35,57-58H2,2-5H3,(H,59,62,63,64);1H/t44-,45-,50-,51-;/m0./s1
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/an/an/a 1.44E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair