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2 similar compounds to monomer 71328

Compile data set for download or QSAR
Wt: 292.7
BDBM33446
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Wt: 667.9
BDBM71294

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 33446,71294   
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
Factor XIIa


(Homo sapiens (Human))
BDBM33446
PNG
(3-Chloro-4-morpholin-4-yl-1-phenyl-pyrrole-2,5-dio...)
Show SMILES ClC1=C(N2CCOCC2)C(=O)N(C1=O)c1ccccc1
Show InChI InChI=1S/C14H13ClN2O3/c15-11-12(16-6-8-20-9-7-16)14(19)17(13(11)18)10-4-2-1-3-5-10/h1-5H,6-9H2
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/a7.423



PCMD

Curated by PubChem BioAssay


Assay Description
HTS was performed on a total of 33,068 compounds of the MLSCN library, 23,017 of which were not in the mixture HTS plates used previously. These comp...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2PV6HQB
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM71294
PNG
(US9546164, 367 | US9694002, 367)
Show SMILES Fc1cc(OCC2CCN(CC2)S(=O)(=O)c2cc(Cl)c(Br)cc2F)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Show InChI InChI=1S/C25H26BrClF2N2O6S2/c26-19-10-22(29)24(11-20(19)27)39(35,36)31-7-5-14(6-8-31)13-37-23-12-21(28)18(9-17(23)15-1-2-15)25(32)30-38(33,34)16-3-4-16/h9-12,14-16H,1-8,13H2,(H,30,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
US Patent
n/an/a 8.30n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Radioligand Binding Studies: Saturation experiments. A representative compound of formula (I) having a methyl group was tritiated. Three tritiums wer...


US Patent US9546164 (2017)


Article DOI: 10.1016/j.bmcl.2005.05.131
BindingDB Entry DOI: 10.7270/Q2JD4ZS4
More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens (Human))
BDBM33446
PNG
(3-Chloro-4-morpholin-4-yl-1-phenyl-pyrrole-2,5-dio...)
Show SMILES ClC1=C(N2CCOCC2)C(=O)N(C1=O)c1ccccc1
Show InChI InChI=1S/C14H13ClN2O3/c15-11-12(16-6-8-20-9-7-16)14(19)17(13(11)18)10-4-2-1-3-5-10/h1-5H,6-9H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.79E+4n/an/an/an/an/an/a



University of Chicago

Curated by ChEMBL


Assay Description
Inhibition of human RAD51 binding to single stranded DNA by fluorescence polarization assay


J Med Chem 56: 254-63 (2013)


Article DOI: 10.1021/jm301565b
BindingDB Entry DOI: 10.7270/Q2VD70R1
More data for this
Ligand-Target Pair
Sodium Channel Complex


(Homo sapiens (Human))
BDBM71294
PNG
(US9546164, 367 | US9694002, 367)
Show SMILES Fc1cc(OCC2CCN(CC2)S(=O)(=O)c2cc(Cl)c(Br)cc2F)c(cc1C(=O)NS(=O)(=O)C1CC1)C1CC1
Show InChI InChI=1S/C25H26BrClF2N2O6S2/c26-19-10-22(29)24(11-20(19)27)39(35,36)31-7-5-14(6-8-31)13-37-23-12-21(28)18(9-17(23)15-1-2-15)25(32)30-38(33,34)16-3-4-16/h9-12,14-16H,1-8,13H2,(H,30,32)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 8.30n/an/an/an/a7.425



GENENTECH, INC.; XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Binding of this radioligand was preformed in 5 mL borosilicate glass test tubes at room temperature. Binding was initiated by adding membranes to inc...


US Patent US9694002 (2017)


BindingDB Entry DOI: 10.7270/Q24B2ZFG
More data for this
Ligand-Target Pair