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BDBM54851 3-(4-bromophenyl)-1-(4-hydroxybutylamino)-2-phenyl-3-nonanol::3-(4-bromophenyl)-1-(4-hydroxybutylamino)-2-phenyl-nonan-3-ol::3-(4-bromophenyl)-1-(4-hydroxybutylamino)-2-phenyl-nonan-3-ol;hydrochloride::3-(4-bromophenyl)-1-(4-hydroxybutylamino)-2-phenylnonan-3-ol::3-(4-bromophenyl)-1-(4-oxidanylbutylamino)-2-phenyl-nonan-3-ol::BRD-A91513005-001-01-2::cid_16193797

SMILES: CCCCCCC(O)(C(CNCCCCO)c1ccccc1)c1ccc(Br)cc1

InChI Key: InChIKey=YMKLQAMJYGSGIO-UHFFFAOYSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 54851   
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
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54851
PNG
(3-(4-bromophenyl)-1-(4-hydroxybutylamino)-2-phenyl...)
Show SMILES CCCCCCC(O)(C(CNCCCCO)c1ccccc1)c1ccc(Br)cc1
Show InChI InChI=1S/C25H36BrNO2/c1-2-3-4-8-17-25(29,22-13-15-23(26)16-14-22)24(20-27-18-9-10-19-28)21-11-6-5-7-12-21/h5-7,11-16,24,27-29H,2-4,8-10,17-20H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.25E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54851
PNG
(3-(4-bromophenyl)-1-(4-hydroxybutylamino)-2-phenyl...)
Show SMILES CCCCCCC(O)(C(CNCCCCO)c1ccccc1)c1ccc(Br)cc1
Show InChI InChI=1S/C25H36BrNO2/c1-2-3-4-8-17-25(29,22-13-15-23(26)16-14-22)24(20-27-18-9-10-19-28)21-11-6-5-7-12-21/h5-7,11-16,24,27-29H,2-4,8-10,17-20H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.97E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair