BindingDB logo
myBDB logout

7 similar compounds to monomer 50417564

Compile data set for download or QSAR
Wt: 417.4
BDBM50417557
Wt: 415.4
BDBM50417560
Wt: 403.4
BDBM50417562
Wt: 415.4
BDBM50417565
Wt: 389.3
BDBM50417566
Wt: 481.4
BDBM50417567
Wt: 417.4
BDBM50417571

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50417557,50417560,50417562,50417565,50417566,50417567,50417571   
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))
BDBM50417557
PNG
(CHEMBL1642161)
Show SMILES CC(C)S(=O)(=O)N[C@@H]1Cc2ccc(Cn3cc(CO)c(n3)C(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)8-24-9-15(10-25)17(22-24)18(19,20)21/h3-5,9,11,16,23,25H,6-8,10H2,1-2H3/t16-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 398n/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))
BDBM50417560
PNG
(CHEMBL1642164)
Show SMILES OCc1cn(Cc2ccc3C[C@H](Cc3c2)NS(=O)(=O)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C18H20F3N3O3S/c19-18(20,21)17-14(10-25)9-24(22-17)8-11-1-2-12-6-15(7-13(12)5-11)23-28(26,27)16-3-4-16/h1-2,5,9,15-16,23,25H,3-4,6-8,10H2/t15-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.51E+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))
BDBM50417562
PNG
(CHEMBL1642166)
Show SMILES CCS(=O)(=O)N[C@H]1Cc2ccc(Cn3cc(CO)c(n3)C(F)(F)F)cc2C1
Show InChI InChI=1S/C17H20F3N3O3S/c1-2-27(25,26)22-15-6-12-4-3-11(5-13(12)7-15)8-23-9-14(10-24)16(21-23)17(18,19)20/h3-5,9,15,22,24H,2,6-8,10H2,1H3/t15-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 398n/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))
BDBM50417571
PNG
(CHEMBL1232932)
Show SMILES CC(C)S(=O)(=O)N[C@H]1Cc2ccc(Cn3cc(CO)c(n3)C(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)8-24-9-15(10-25)17(22-24)18(19,20)21/h3-5,9,11,16,23,25H,6-8,10H2,1-2H3/t16-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/an/a 501n/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
3D
3D Structure (crystal)
GRIA2


(Homo sapiens (Human))
BDBM50417566
PNG
(CHEMBL1642170)
Show SMILES CS(=O)(=O)NC1CCc2cc(Cn3cc(CO)c(n3)C(F)(F)F)ccc12
Show InChI InChI=1S/C16H18F3N3O3S/c1-26(24,25)21-14-5-3-11-6-10(2-4-13(11)14)7-22-8-12(9-23)15(20-22)16(17,18)19/h2,4,6,8,14,21,23H,3,5,7,9H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 501n/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))
BDBM50417567
PNG
(CHEMBL1642171)
Show SMILES COc1ccccc1S(=O)(=O)NC1CCc2cc(Cn3cc(CO)c(n3)C(F)(F)F)ccc12
Show InChI InChI=1S/C22H22F3N3O4S/c1-32-19-4-2-3-5-20(19)33(30,31)27-18-9-7-15-10-14(6-8-17(15)18)11-28-12-16(13-29)21(26-28)22(23,24)25/h2-6,8,10,12,18,27,29H,7,9,11,13H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.00E+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))
BDBM50417565
PNG
(CHEMBL1642169)
Show SMILES OCc1cn(Cc2ccc3C(CCc3c2)NS(=O)(=O)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C18H20F3N3O3S/c19-18(20,21)17-13(10-25)9-24(22-17)8-11-1-5-15-12(7-11)2-6-16(15)23-28(26,27)14-3-4-14/h1,5,7,9,14,16,23,25H,2-4,6,8,10H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 158n/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