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4 similar compounds to monomer 88712

Compile data set for download or QSAR
Wt: 504.6
BDBM88713
Wt: 435.3
BDBM88714
Wt: 377.2
BDBM97359
Wt: 397.6
BDBM97360

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 88713,88714,97359,97360   
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
Antrax lethal toxin


(Bacillus anthracis)
BDBM88713
PNG
(6-bromanyl-2-(3-bromophenyl)-3-[(3-chlorophenyl)me...)
Show SMILES Cc1cc2nc(c(Cc3cccc(Cl)c3)n2c(C)c1Br)-c1cccc(Br)c1
Show InChI InChI=1S/C22H17Br2ClN2/c1-13-9-20-26-22(16-6-4-7-17(23)12-16)19(27(20)14(2)21(13)24)11-15-5-3-8-18(25)10-15/h3-10,12H,11H2,1-2H3
PDB
MMDB

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n/an/an/an/a>2.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q26D5RK7
More data for this
Ligand-Target Pair
Antrax lethal toxin


(Bacillus anthracis)
BDBM88714
PNG
(6-bromanyl-3-[(2-methoxyphenyl)methyl]-5,7-dimethy...)
Show SMILES COc1ccccc1Cc1c(nc2cc(C)c(Br)c(C)n12)-c1ccc(C)cc1
Show InChI InChI=1S/C24H23BrN2O/c1-15-9-11-18(12-10-15)24-20(14-19-7-5-6-8-21(19)28-4)27-17(3)23(25)16(2)13-22(27)26-24/h5-13H,14H2,1-4H3
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n/an/an/an/a>2.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q26D5RK7
More data for this
Ligand-Target Pair
botulinum neurotoxin type A


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM88713
PNG
(6-bromanyl-2-(3-bromophenyl)-3-[(3-chlorophenyl)me...)
Show SMILES Cc1cc2nc(c(Cc3cccc(Cl)c3)n2c(C)c1Br)-c1cccc(Br)c1
Show InChI InChI=1S/C22H17Br2ClN2/c1-13-9-20-26-22(16-6-4-7-17(23)12-16)19(27(20)14(2)21(13)24)11-15-5-3-8-18(25)10-15/h3-10,12H,11H2,1-2H3
PDB
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KEGG

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n/an/an/an/a>2.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q22N50WB
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (Human))
BDBM97360
PNG
(3-benzyl-6-bromo-2-(3-chlorophenyl)imidazo[1,2-a]p...)
Show SMILES Clc1cccc(c1)-c1nc2ccc(Br)cn2c1Cc1ccccc1
Show InChI InChI=1S/C20H14BrClN2/c21-16-9-10-19-23-20(15-7-4-8-17(22)12-15)18(24(19)13-16)11-14-5-2-1-3-6-14/h1-10,12-13H,11H2
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n/an/a>6.75E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2ZG6QV9
More data for this
Ligand-Target Pair
nuclear receptor subfamily 0 group B member 1


(Homo sapiens (Human))
BDBM97359
PNG
(3-benzyl-6-bromo-2-(4-methylphenyl)imidazo[1,2-a]p...)
Show SMILES Cc1ccc(cc1)-c1nc2ccc(Br)cn2c1Cc1ccccc1
Show InChI InChI=1S/C21H17BrN2/c1-15-7-9-17(10-8-15)21-19(13-16-5-3-2-4-6-16)24-14-18(22)11-12-20(24)23-21/h2-12,14H,13H2,1H3
KEGG

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UniChem

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n/an/a>6.76E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23777B0
More data for this
Ligand-Target Pair
nuclear receptor subfamily 0 group B member 1


(Homo sapiens (Human))
BDBM97360
PNG
(3-benzyl-6-bromo-2-(3-chlorophenyl)imidazo[1,2-a]p...)
Show SMILES Clc1cccc(c1)-c1nc2ccc(Br)cn2c1Cc1ccccc1
Show InChI InChI=1S/C20H14BrClN2/c21-16-9-10-19-23-20(15-7-4-8-17(22)12-15)18(24(19)13-16)11-14-5-2-1-3-6-14/h1-10,12-13H,11H2
KEGG

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UniChem

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PCBioAssay
n/an/a>6.75E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q23777B0
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (Human))
BDBM97359
PNG
(3-benzyl-6-bromo-2-(4-methylphenyl)imidazo[1,2-a]p...)
Show SMILES Cc1ccc(cc1)-c1nc2ccc(Br)cn2c1Cc1ccccc1
Show InChI InChI=1S/C21H17BrN2/c1-15-7-9-17(10-8-15)21-19(13-16-5-3-2-4-6-16)24-14-18(22)11-12-20(24)23-21/h2-12,14H,13H2,1H3
PDB
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n/an/a>6.76E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2ZG6QV9
More data for this
Ligand-Target Pair
botulinum neurotoxin type A


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM88714
PNG
(6-bromanyl-3-[(2-methoxyphenyl)methyl]-5,7-dimethy...)
Show SMILES COc1ccccc1Cc1c(nc2cc(C)c(Br)c(C)n12)-c1ccc(C)cc1
Show InChI InChI=1S/C24H23BrN2O/c1-15-9-11-18(12-10-15)24-20(14-19-7-5-6-8-21(19)28-4)27-17(3)23(25)16(2)13-22(27)26-24/h5-13H,14H2,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>2.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q22N50WB
More data for this
Ligand-Target Pair