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BDBM61754 3-(4-bromophenyl)sulfonyl-N-(2-furanylmethyl)propanamide::3-(4-bromophenyl)sulfonyl-N-(furan-2-ylmethyl)propanamide::3-brosyl-N-(2-furfuryl)propionamide::MLS001030285::SMR000635582::cid_4253422

SMILES: Brc1ccc(cc1)S(=O)(=O)CCC(=O)NCc1ccco1

InChI Key: InChIKey=SYXJJFGYUDWBDT-UHFFFAOYSA-N

Data: 1 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 61754   
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
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM61754
PNG
(3-(4-bromophenyl)sulfonyl-N-(2-furanylmethyl)propa...)
Show SMILES Brc1ccc(cc1)S(=O)(=O)CCC(=O)NCc1ccco1
Show InChI InChI=1S/C14H14BrNO4S/c15-11-3-5-13(6-4-11)21(18,19)9-7-14(17)16-10-12-2-1-8-20-12/h1-6,8H,7,9-10H2,(H,16,17)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.21E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM61754
PNG
(3-(4-bromophenyl)sulfonyl-N-(2-furanylmethyl)propa...)
Show SMILES Brc1ccc(cc1)S(=O)(=O)CCC(=O)NCc1ccco1
Show InChI InChI=1S/C14H14BrNO4S/c15-11-3-5-13(6-4-11)21(18,19)9-7-14(17)16-10-12-2-1-8-20-12/h1-6,8H,7,9-10H2,(H,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 2.34E+4n/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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q29C6VXX
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM61754
PNG
(3-(4-bromophenyl)sulfonyl-N-(2-furanylmethyl)propa...)
Show SMILES Brc1ccc(cc1)S(=O)(=O)CCC(=O)NCc1ccco1
Show InChI InChI=1S/C14H14BrNO4S/c15-11-3-5-13(6-4-11)21(18,19)9-7-14(17)16-10-12-2-1-8-20-12/h1-6,8H,7,9-10H2,(H,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>1.00E+5n/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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB447H
More data for this
Ligand-Target Pair