BindingDB logo
myBDB logout

38 similar compounds to monomer 42881

Compile data set for download or QSAR
Wt: 364.4
BDBM30970
Wt: 384.3
BDBM36821
Wt: 366.3
BDBM37238
Wt: 400.8
BDBM37246
Wt: 368.3
BDBM42880
Wt: 374.4
BDBM42864
Wt: 382.4
BDBM42580
Wt: 412.4
BDBM44794
Wt: 362.3
BDBM62872
Wt: 358.4
BDBM65876
Wt: 376.4
BDBM72820
Wt: 370.3
BDBM87335
Wt: 260.2
BDBM112642
Wt: 274.3
BDBM112646
Wt: 306.3
BDBM112645
Displayed 1 to 15 (of 38 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 30970,36821,37238,37246,42880,42864,42580,44794,62872,65876,72820,87335,112642,112646,112645   
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
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM30970
PNG
(2-ethylsulfanylethyl 4-(1,3-benzodioxol-5-yl)-6-me...)
Show SMILES CCSCCOC(=O)C1C(NC(=O)N=C1C)c1ccc2OCOc2c1
Show InChI InChI=1/C17H20N2O5S/c1-3-25-7-6-22-16(20)14-10(2)18-17(21)19-15(14)11-4-5-12-13(8-11)24-9-23-12/h4-5,8,14-15H,3,6-7,9H2,1-2H3,(H,19,21)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 9.90E+4n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q21N7ZG0
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM112646
PNG
(Ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1,2,3,4- t...)
Show SMILES CCOC(=O)C1C(NC(=O)N=C1C)c1ccc(C)cc1
Show InChI InChI=1/C15H18N2O3/c1-4-20-14(18)12-10(3)16-15(19)17-13(12)11-7-5-9(2)6-8-11/h5-8,12-13H,4H2,1-3H3,(H,17,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.12E+5n/an/an/an/a6.837



COMSATS Institute of Information Technology, Lahore 54000, Pakistan



Assay Description
Reaction mixture (100 µL) contained 70 µL 50 mM Na2HPO4 buffer, pH 6.8, 10 µL test compound (0.5 mM), followed by the addition of 10 &...


Bioorg Chem 54: 96-104 (2014)


Article DOI: 10.1016/j.bioorg.2014.05.003
BindingDB Entry DOI: 10.7270/Q2NG4P8Q
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37246
PNG
(1,3-benzodioxol-5-ylmethyl 4-(4-chlorophenyl)-6-me...)
Show SMILES CC1=NC(=O)NC(C1C(=O)OCc1ccc2OCOc2c1)c1ccc(Cl)cc1
Show InChI InChI=1/C20H17ClN2O5/c1-11-17(18(23-20(25)22-11)13-3-5-14(21)6-4-13)19(24)26-9-12-2-7-15-16(8-12)28-10-27-15/h2-8,17-18H,9-10H2,1H3,(H,23,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/an/an/a>300n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


Article DOI: 10.1021/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36821
PNG
(1,3-benzodioxol-5-ylmethyl 4-(4-fluorophenyl)-6-me...)
Show SMILES CC1=NC(=O)NC(C1C(=O)OCc1ccc2OCOc2c1)c1ccc(F)cc1
Show InChI InChI=1/C20H17FN2O5/c1-11-17(18(23-20(25)22-11)13-3-5-14(21)6-4-13)19(24)26-9-12-2-7-15-16(8-12)28-10-27-15/h2-8,17-18H,9-10H2,1H3,(H,23,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/an/an/a 2.30E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


Article DOI: 10.1021/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37238
PNG
(1,3-benzodioxol-5-ylmethyl 6-methyl-2-oxidanyliden...)
Show SMILES CC1=NC(=O)NC(C1C(=O)OCc1ccc2OCOc2c1)c1ccccc1
Show InChI InChI=1/C20H18N2O5/c1-12-17(18(22-20(24)21-12)14-5-3-2-4-6-14)19(23)25-10-13-7-8-15-16(9-13)27-11-26-15/h2-9,17-18H,10-11H2,1H3,(H,22,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/an/an/a>1.00E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


Article DOI: 10.1021/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37246
PNG
(1,3-benzodioxol-5-ylmethyl 4-(4-chlorophenyl)-6-me...)
Show SMILES CC1=NC(=O)NC(C1C(=O)OCc1ccc2OCOc2c1)c1ccc(Cl)cc1
Show InChI InChI=1/C20H17ClN2O5/c1-11-17(18(23-20(25)22-11)13-3-5-14(21)6-4-13)19(24)26-9-12-2-7-15-16(8-12)28-10-27-15/h2-8,17-18H,9-10H2,1H3,(H,23,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/an/an/a>1.00E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


Article DOI: 10.1021/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36821
PNG
(1,3-benzodioxol-5-ylmethyl 4-(4-fluorophenyl)-6-me...)
Show SMILES CC1=NC(=O)NC(C1C(=O)OCc1ccc2OCOc2c1)c1ccc(F)cc1
Show InChI InChI=1/C20H17FN2O5/c1-11-17(18(23-20(25)22-11)13-3-5-14(21)6-4-13)19(24)26-9-12-2-7-15-16(8-12)28-10-27-15/h2-8,17-18H,9-10H2,1H3,(H,23,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/an/an/a 437n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37238
PNG
(1,3-benzodioxol-5-ylmethyl 6-methyl-2-oxidanyliden...)
Show SMILES CC1=NC(=O)NC(C1C(=O)OCc1ccc2OCOc2c1)c1ccccc1
Show InChI InChI=1/C20H18N2O5/c1-12-17(18(22-20(24)21-12)14-5-3-2-4-6-14)19(23)25-10-13-7-8-15-16(9-13)27-11-26-15/h2-9,17-18H,10-11H2,1H3,(H,22,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/an/an/a 1.85E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37246
PNG
(1,3-benzodioxol-5-ylmethyl 4-(4-chlorophenyl)-6-me...)
Show SMILES CC1=NC(=O)NC(C1C(=O)OCc1ccc2OCOc2c1)c1ccc(Cl)cc1
Show InChI InChI=1/C20H17ClN2O5/c1-11-17(18(23-20(25)22-11)13-3-5-14(21)6-4-13)19(24)26-9-12-2-7-15-16(8-12)28-10-27-15/h2-8,17-18H,9-10H2,1H3,(H,23,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/an/an/a>30n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36821
PNG
(1,3-benzodioxol-5-ylmethyl 4-(4-fluorophenyl)-6-me...)
Show SMILES CC1=NC(=O)NC(C1C(=O)OCc1ccc2OCOc2c1)c1ccc(F)cc1
Show InChI InChI=1/C20H17FN2O5/c1-11-17(18(23-20(25)22-11)13-3-5-14(21)6-4-13)19(24)26-9-12-2-7-15-16(8-12)28-10-27-15/h2-8,17-18H,9-10H2,1H3,(H,23,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/an/an/a 631n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


Article DOI: 10.1021/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM44794
PNG
((4-methylphenyl)methyl 4-(3,5-dimethoxy-4-oxidanyl...)
Show SMILES COc1cc(cc(OC)c1O)C1NC(=O)N=C(C)C1C(=O)OCc1ccc(C)cc1
Show InChI InChI=1/C22H24N2O6/c1-12-5-7-14(8-6-12)11-30-21(26)18-13(2)23-22(27)24-19(18)15-9-16(28-3)20(25)17(10-15)29-4/h5-10,18-19,25H,11H2,1-4H3,(H,24,27)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.65E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25719FH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM42580
PNG
((phenylmethyl) 4-(3-ethoxy-4-oxidanyl-phenyl)-6-me...)
Show SMILES CCOc1cc(ccc1O)C1NC(=O)N=C(C)C1C(=O)OCc1ccccc1
Show InChI InChI=1/C21H22N2O5/c1-3-27-17-11-15(9-10-16(17)24)19-18(13(2)22-21(26)23-19)20(25)28-12-14-7-5-4-6-8-14/h4-11,18-19,24H,3,12H2,1-2H3,(H,23,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.46E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2KK996K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM42864
PNG
((3-methylcyclohexyl) 4-(3-methoxy-4-oxidanyl-pheny...)
Show SMILES COc1cc(ccc1O)C1NC(=O)N=C(C)C1C(=O)OC1CCCC(C)C1
Show InChI InChI=1/C20H26N2O5/c1-11-5-4-6-14(9-11)27-19(24)17-12(2)21-20(25)22-18(17)13-7-8-15(23)16(10-13)26-3/h7-8,10-11,14,17-18,23H,4-6,9H2,1-3H3,(H,22,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.94E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2KK996K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM42880
PNG
((phenylmethyl) 4-(3-methoxy-4-oxidanyl-phenyl)-6-m...)
Show SMILES COc1cc(ccc1O)C1NC(=O)N=C(C)C1C(=O)OCc1ccccc1
Show InChI InChI=1/C20H20N2O5/c1-12-17(19(24)27-11-13-6-4-3-5-7-13)18(22-20(25)21-12)14-8-9-15(23)16(10-14)26-2/h3-10,17-18,23H,11H2,1-2H3,(H,22,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>9.31E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2KK996K
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM62872
PNG
(4-(4-hydroxy-3-methoxy-phenyl)-2-keto-6-methyl-3,4...)
Show SMILES COc1cc(ccc1O)C1NC(=O)N=C(C)C1C(=O)OCC1CCCO1
Show InChI InChI=1/C18H22N2O6/c1-10-15(17(22)26-9-12-4-3-7-25-12)16(20-18(23)19-10)11-5-6-13(21)14(8-11)24-2/h5-6,8,12,15-16,21H,3-4,7,9H2,1-2H3,(H,20,23)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>1.95E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.2


(Rattus norvegicus)
BDBM65876
PNG
(4-(3-hydroxyphenyl)-2-keto-6-methyl-3,4-dihydro-1H...)
Show SMILES CC1=NC(=O)NC(C1C(=O)OC1CCCCCCC1)c1cccc(O)c1
Show InChI InChI=1/C20H26N2O4/c1-13-17(19(24)26-16-10-5-3-2-4-6-11-16)18(22-20(25)21-13)14-8-7-9-15(23)12-14/h7-9,12,16-18,23H,2-6,10-11H2,1H3,(H,22,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 5.37E+5n/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
BioAssay Type: Confirmatory, Concentration-Response Relationship Observed Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20000JS
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM36821
PNG
(1,3-benzodioxol-5-ylmethyl 4-(4-fluorophenyl)-6-me...)
Show SMILES CC1=NC(=O)NC(C1C(=O)OCc1ccc2OCOc2c1)c1ccc(F)cc1
Show InChI InChI=1/C20H17FN2O5/c1-11-17(18(23-20(25)22-11)13-3-5-14(21)6-4-13)19(24)26-9-12-2-7-15-16(8-12)28-10-27-15/h2-8,17-18H,9-10H2,1H3,(H,23,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a<160n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM72820
PNG
(2-ethylbutyl 4-(2,5-dimethoxyphenyl)-6-methyl-2-ox...)
Show SMILES CCC(CC)COC(=O)C1C(NC(=O)N=C1C)c1cc(OC)ccc1OC
Show InChI InChI=1/C20H28N2O5/c1-6-13(7-2)11-27-19(23)17-12(3)21-20(24)22-18(17)15-10-14(25-4)8-9-16(15)26-5/h8-10,13,17-18H,6-7,11H2,1-5H3,(H,22,24)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>2.60E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
FXN frataxin


(Aspergillus niger)
BDBM42880
PNG
((phenylmethyl) 4-(3-methoxy-4-oxidanyl-phenyl)-6-m...)
Show SMILES COc1cc(ccc1O)C1NC(=O)N=C(C)C1C(=O)OCc1ccccc1
Show InChI InChI=1/C20H20N2O5/c1-12-17(19(24)27-11-13-6-4-3-5-7-13)18(22-20(25)21-12)14-8-9-15(23)16(10-14)26-2/h3-10,17-18,23H,11H2,1-2H3,(H,22,25)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/an/an/a>5.96E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2011)


Article DOI: 10.1021/acs.biochem.5b00431
BindingDB Entry DOI: 10.7270/Q2PK0DN5
More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(Homo sapiens (Human))
BDBM87335
PNG
((4-methoxyphenyl)methyl 4-(4-fluorophenyl)-6-methy...)
Show SMILES COc1ccc(COC(=O)C2C(NC(=O)N=C2C)c2ccc(F)cc2)cc1
Show InChI InChI=1/C20H19FN2O4/c1-12-17(19(24)27-11-13-3-9-16(26-2)10-4-13)18(23-20(25)22-12)14-5-7-15(21)8-6-14/h3-10,17-18H,11H2,1-2H3,(H,23,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a 7.71E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


Article DOI: 10.1016/j.bioorg.2016.07.002
BindingDB Entry DOI: 10.7270/Q2HT2MXV
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM87335
PNG
((4-methoxyphenyl)methyl 4-(4-fluorophenyl)-6-methy...)
Show SMILES COc1ccc(COC(=O)C2C(NC(=O)N=C2C)c2ccc(F)cc2)cc1
Show InChI InChI=1/C20H19FN2O4/c1-12-17(19(24)27-11-13-3-9-16(26-2)10-4-13)18(23-20(25)22-12)14-5-7-15(21)8-6-14/h3-10,17-18H,11H2,1-2H3,(H,23,25)
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a 9.08E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


Article DOI: 10.1016/j.bioorg.2016.07.005
BindingDB Entry DOI: 10.7270/Q2D21W6V
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens (Human))
BDBM87335
PNG
((4-methoxyphenyl)methyl 4-(4-fluorophenyl)-6-methy...)
Show SMILES COc1ccc(COC(=O)C2C(NC(=O)N=C2C)c2ccc(F)cc2)cc1
Show InChI InChI=1/C20H19FN2O4/c1-12-17(19(24)27-11-13-3-9-16(26-2)10-4-13)18(23-20(25)22-12)14-5-7-15(21)8-6-14/h3-10,17-18H,11H2,1-2H3,(H,23,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a 1.60E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


Article DOI: 10.1016/j.bioorg.2016.07.007
BindingDB Entry DOI: 10.7270/Q28914F2
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM112642
PNG
(Ethyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropy...)
Show SMILES CCOC(=O)C1C(NC(=O)N=C1C)c1ccccc1
Show InChI InChI=1/C14H16N2O3/c1-3-19-13(17)11-9(2)15-14(18)16-12(11)10-7-5-4-6-8-10/h4-8,11-12H,3H2,1-2H3,(H,16,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.43E+5n/an/an/an/a6.837



COMSATS Institute of Information Technology, Lahore 54000, Pakistan



Assay Description
Reaction mixture (100 µL) contained 70 µL 50 mM Na2HPO4 buffer, pH 6.8, 10 µL test compound (0.5 mM), followed by the addition of 10 &...


Bioorg Chem 54: 96-104 (2014)


Article DOI: 10.1016/j.bioorg.2014.05.003
BindingDB Entry DOI: 10.7270/Q2NG4P8Q
More data for this
Ligand-Target Pair
Alpha-glucosidase MAL12


(Saccharomyces cerevisiae)
BDBM112645
PNG
(Ethyl 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo...)
Show SMILES CCOC(=O)C1C(NC(=O)N=C1C)c1ccc(O)c(OC)c1
Show InChI InChI=1/C15H18N2O5/c1-4-22-14(19)12-8(2)16-15(20)17-13(12)9-5-6-10(18)11(7-9)21-3/h5-7,12-13,18H,4H2,1-3H3,(H,17,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.05E+5n/an/an/an/a6.837



COMSATS Institute of Information Technology, Lahore 54000, Pakistan



Assay Description
Reaction mixture (100 µL) contained 70 µL 50 mM Na2HPO4 buffer, pH 6.8, 10 µL test compound (0.5 mM), followed by the addition of 10 &...


Bioorg Chem 54: 96-104 (2014)


Article DOI: 10.1016/j.bioorg.2014.05.003
BindingDB Entry DOI: 10.7270/Q2NG4P8Q
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37238
PNG
(1,3-benzodioxol-5-ylmethyl 6-methyl-2-oxidanyliden...)
Show SMILES CC1=NC(=O)NC(C1C(=O)OCc1ccc2OCOc2c1)c1ccccc1
Show InChI InChI=1/C20H18N2O5/c1-12-17(18(22-20(24)21-12)14-5-3-2-4-6-14)19(23)25-10-13-7-8-15-16(9-13)27-11-26-15/h2-9,17-18H,10-11H2,1H3,(H,22,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/an/an/a 3.42E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


Article DOI: 10.1021/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair