BindingDB logo
myBDB logout

5 similar compounds to monomer 31078

Compile data set for download or QSAR
Wt: 330.7
BDBM37462
Wt: 398.4
BDBM55329
Wt: 370.4
BDBM62798
Wt: 375.2
BDBM66299
Wt: 326.3
BDBM68608

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 37462,55329,62798,66299,68608   
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
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM37462
PNG
(2-(3-chlorophenyl)-3-(3-fluorophenyl)-5,6,7,7a-tet...)
Show SMILES Fc1cccc(c1)C1N2CCCC2C(=O)N1c1cccc(Cl)c1
Show InChI InChI=1S/C18H16ClFN2O/c19-13-5-2-7-15(11-13)22-17(12-4-1-6-14(20)10-12)21-9-3-8-16(21)18(22)23/h1-2,4-7,10-11,16-17H,3,8-9H2
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>4.98E+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 Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens (Human))
BDBM55329
PNG
(2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-5,6...)
Show SMILES COc1ccc(cc1)N1C(N2CCCC2C1=O)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C22H26N2O5/c1-26-16-9-7-15(8-10-16)24-21(23-11-5-6-17(23)22(24)25)14-12-18(27-2)20(29-4)19(13-14)28-3/h7-10,12-13,17,21H,5-6,11H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2M90723
More data for this
Ligand-Target Pair
karyopherin alpha 2 (RAG cohort 1, importin alpha 1), isoform CRA_b


(Homo sapiens (Human))
BDBM62798
PNG
(3-(4-ethoxy-3-methoxy-phenyl)-2-(4-fluorophenyl)-5...)
Show SMILES CCOc1ccc(cc1OC)C1N2CCCC2C(=O)N1c1ccc(F)cc1
Show InChI InChI=1S/C21H23FN2O3/c1-3-27-18-11-6-14(13-19(18)26-2)20-23-12-4-5-17(23)21(25)24(20)16-9-7-15(22)8-10-16/h6-11,13,17,20H,3-5,12H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.39E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Counterscreen, FRET assay, HTS, YIC probe, Dose response, Assay Overview: This is a fluorescence resonance energy transfer (FRET)-based b...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q280513R
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM68608
PNG
(3-(2-fluorophenyl)-2-(4-methoxyphenyl)-5,6,7,7a-te...)
Show SMILES COc1ccc(cc1)N1C(N2CCCC2C1=O)c1ccccc1F
Show InChI InChI=1S/C19H19FN2O2/c1-24-14-10-8-13(9-11-14)22-18(15-5-2-3-6-16(15)20)21-12-4-7-17(21)19(22)23/h2-3,5-6,8-11,17-18H,4,7,12H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens (Human))
BDBM66299
PNG
(3-(3-bromophenyl)-2-(4-fluorophenyl)-5,6,7,7a-tetr...)
Show SMILES Fc1ccc(cc1)N1C(N2CCCC2C1=O)c1cccc(Br)c1
Show InChI InChI=1S/C18H16BrFN2O/c19-13-4-1-3-12(11-13)17-21-10-2-5-16(21)18(23)22(17)15-8-6-14(20)7-9-15/h1,3-4,6-9,11,16-17H,2,5,10H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>3.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM62798
PNG
(3-(4-ethoxy-3-methoxy-phenyl)-2-(4-fluorophenyl)-5...)
Show SMILES CCOc1ccc(cc1OC)C1N2CCCC2C(=O)N1c1ccc(F)cc1
Show InChI InChI=1S/C21H23FN2O3/c1-3-27-18-11-6-14(13-19(18)26-2)20-23-12-4-5-17(23)21(25)24(20)16-9-7-15(22)8-10-16/h6-11,13,17,20H,3-5,12H2,1-2H3
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