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2 similar compounds to monomer 50192222

Compile data set for download or QSAR
Wt: 286.3
BDBM80952
Purchase
Wt: 354.4
BDBM50192217

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 80952,50192217   
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
cysteine protease ATG4B isoform a


(Homo sapiens (Human))
BDBM80952
PNG
(4-cyano-5-(dimethylamino)-3-phenyl-2-thiophenecarb...)
Show SMILES COC(=O)c1sc(N(C)C)c(C#N)c1-c1ccccc1
Show InChI InChI=1S/C15H14N2O2S/c1-17(2)14-11(9-16)12(10-7-5-4-6-8-10)13(20-14)15(18)19-3/h4-8H,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.24E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2BZ64H1
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM80952
PNG
(4-cyano-5-(dimethylamino)-3-phenyl-2-thiophenecarb...)
Show SMILES COC(=O)c1sc(N(C)C)c(C#N)c1-c1ccccc1
Show InChI InChI=1S/C15H14N2O2S/c1-17(2)14-11(9-16)12(10-7-5-4-6-8-10)13(20-14)15(18)19-3/h4-8H,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 8.76E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q26M35BC
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50192217
PNG
(3-(4-tert-butylphenyl)-4-cyano-5-(pyrrolidin-1-yl)...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1c(sc(N2CCCC2)c1C#N)C(O)=O
Show InChI InChI=1S/C20H22N2O2S/c1-20(2,3)14-8-6-13(7-9-14)16-15(12-21)18(22-10-4-5-11-22)25-17(16)19(23)24/h6-9H,4-5,10-11H2,1-3H3,(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.14E+3n/an/an/an/a



Lilly S.A.

Curated by ChEMBL


Assay Description
Activity against human GLUR2 flip expressed in HEK293 cells assesed as glutamate-stimulated calcium influx by FLIPR assay


Bioorg Med Chem Lett 16: 5057-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.035
BindingDB Entry DOI: 10.7270/Q24749H7
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50192217
PNG
(3-(4-tert-butylphenyl)-4-cyano-5-(pyrrolidin-1-yl)...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1c(sc(N2CCCC2)c1C#N)C(O)=O
Show InChI InChI=1S/C20H22N2O2S/c1-20(2,3)14-8-6-13(7-9-14)16-15(12-21)18(22-10-4-5-11-22)25-17(16)19(23)24/h6-9H,4-5,10-11H2,1-3H3,(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.43E+3n/an/an/an/a



Lilly S.A.

Curated by ChEMBL


Assay Description
Activity against human GLUR2 flop expressed in HEK293 cells assesed as glutamate-stimulated calcium influx by FLIPR assay


Bioorg Med Chem Lett 16: 5057-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.035
BindingDB Entry DOI: 10.7270/Q24749H7
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens (Human))
BDBM50192217
PNG
(3-(4-tert-butylphenyl)-4-cyano-5-(pyrrolidin-1-yl)...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1c(sc(N2CCCC2)c1C#N)C(O)=O
Show InChI InChI=1S/C20H22N2O2S/c1-20(2,3)14-8-6-13(7-9-14)16-15(12-21)18(22-10-4-5-11-22)25-17(16)19(23)24/h6-9H,4-5,10-11H2,1-3H3,(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>3.00E+3n/an/an/an/a



Lilly S.A.

Curated by ChEMBL


Assay Description
Activity against human GLUR4 flop expressed in HEK293 cells assesed as glutamate-stimulated calcium influx by FLIPR assay


Bioorg Med Chem Lett 16: 5057-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.035
BindingDB Entry DOI: 10.7270/Q24749H7
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic AMPA


(Homo sapiens (Human))
BDBM50192217
PNG
(3-(4-tert-butylphenyl)-4-cyano-5-(pyrrolidin-1-yl)...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1c(sc(N2CCCC2)c1C#N)C(O)=O
Show InChI InChI=1S/C20H22N2O2S/c1-20(2,3)14-8-6-13(7-9-14)16-15(12-21)18(22-10-4-5-11-22)25-17(16)19(23)24/h6-9H,4-5,10-11H2,1-3H3,(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.01E+3n/an/an/an/a



Lilly S.A.

Curated by ChEMBL


Assay Description
Activity against human GLUR4 flip expressed in HEK293 cells assesed as glutamate-stimulated calcium influx by FLIPR assay


Bioorg Med Chem Lett 16: 5057-61 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.035
BindingDB Entry DOI: 10.7270/Q24749H7
More data for this
Ligand-Target Pair