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3 similar compounds to monomer 50417574

Compile data set for download or QSAR
Wt: 419.4
BDBM50417572
Wt: 441.5
BDBM50417575
Wt: 417.4
BDBM50417577

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50417572,50417575,50417577   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
GRIA2


(Homo sapiens (Human))
BDBM50417572
PNG
(CHEMBL1642153)
Show SMILES CC(C)S(=O)(=O)N[C@H]1Cc2ccc(Cn3cc(CF)c(n3)C(F)(F)F)cc2C1
Show InChI InChI=1S/C18H21F4N3O2S/c1-11(2)28(26,27)24-16-6-13-4-3-12(5-14(13)7-16)9-25-10-15(8-19)17(23-25)18(20,21)22/h3-5,10-11,16,24H,6-9H2,1-2H3/t16-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.26E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Modulatory activity at GluA2 receptor LBD


Bioorg Med Chem Lett 21: 805-11 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.098
BindingDB Entry DOI: 10.7270/Q2Q52QWZ
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50417577
PNG
(CHEMBL1642158)
Show SMILES CC(C)S(=O)(=O)N[C@H]1Cc2ccc(Cn3ncc(CO)c3C(F)(F)F)cc2C1
Show InChI InChI=1S/C18H22F3N3O3S/c1-11(2)28(26,27)23-16-6-13-4-3-12(5-14(13)7-16)9-24-17(18(19,20)21)15(10-25)8-22-24/h3-5,8,11,16,23,25H,6-7,9-10H2,1-2H3/t16-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.98E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Modulatory activity at GluA2 receptor LBD


Bioorg Med Chem Lett 21: 805-11 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.098
BindingDB Entry DOI: 10.7270/Q2Q52QWZ
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50417575
PNG
(CHEMBL1642156)
Show SMILES CC(C)S(=O)(=O)N[C@H]1Cc2ccc(Cn3nc(c4CCCCc34)C(F)(F)F)cc2C1
Show InChI InChI=1S/C21H26F3N3O2S/c1-13(2)30(28,29)26-17-10-15-8-7-14(9-16(15)11-17)12-27-19-6-4-3-5-18(19)20(25-27)21(22,23)24/h7-9,13,17,26H,3-6,10-12H2,1-2H3/t17-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.26E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Modulatory activity at GluA2 receptor LBD


Bioorg Med Chem Lett 21: 805-11 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.098
BindingDB Entry DOI: 10.7270/Q2Q52QWZ
More data for this
Ligand-Target Pair