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2 similar compounds to monomer 91552

Compile data set for download or QSAR
Wt: 339.4
BDBM91554
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Wt: 339.4
BDBM91555
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 91554,91555   
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
botulinum neurotoxin type A


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM91554
PNG
(4-methyl-2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4...)
Show SMILES Cc1csc(n1)N1N=C(CC1c1ccc(C)cc1)c1cccs1
Show InChI InChI=1S/C18H17N3S2/c1-12-5-7-14(8-6-12)16-10-15(17-4-3-9-22-17)20-21(16)18-19-13(2)11-23-18/h3-9,11,16H,10H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

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/Q29Z93G0
More data for this
Ligand-Target Pair
botulinum neurotoxin type A


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM91555
PNG
(4-methyl-2-[3-(3-methylphenyl)-5-thiophen-2-yl-3,4...)
Show SMILES Cc1csc(n1)N1N=C(CC1c1cccc(C)c1)c1cccs1
Show InChI InChI=1S/C18H17N3S2/c1-12-5-3-6-14(9-12)16-10-15(17-7-4-8-22-17)20-21(16)18-19-13(2)11-23-18/h3-9,11,16H,10H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

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/Q29Z93G0
More data for this
Ligand-Target Pair
botulinum neurotoxin type F, BoNT/F


(Clostridium botulinum Bf)
BDBM91555
PNG
(4-methyl-2-[3-(3-methylphenyl)-5-thiophen-2-yl-3,4...)
Show SMILES Cc1csc(n1)N1N=C(CC1c1cccc(C)c1)c1cccs1
Show InChI InChI=1S/C18H17N3S2/c1-12-5-3-6-14(9-12)16-10-15(17-7-4-8-22-17)20-21(16)18-19-13(2)11-23-18/h3-9,11,16H,10H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

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/Q22F7M0T
More data for this
Ligand-Target Pair
Antrax lethal toxin


(Bacillus anthracis)
BDBM91555
PNG
(4-methyl-2-[3-(3-methylphenyl)-5-thiophen-2-yl-3,4...)
Show SMILES Cc1csc(n1)N1N=C(CC1c1cccc(C)c1)c1cccs1
Show InChI InChI=1S/C18H17N3S2/c1-12-5-3-6-14(9-12)16-10-15(17-7-4-8-22-17)20-21(16)18-19-13(2)11-23-18/h3-9,11,16H,10H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

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/Q2668BRK
More data for this
Ligand-Target Pair
botulinum neurotoxin type F, BoNT/F


(Clostridium botulinum Bf)
BDBM91554
PNG
(4-methyl-2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4...)
Show SMILES Cc1csc(n1)N1N=C(CC1c1ccc(C)cc1)c1cccs1
Show InChI InChI=1S/C18H17N3S2/c1-12-5-7-14(8-6-12)16-10-15(17-4-3-9-22-17)20-21(16)18-19-13(2)11-23-18/h3-9,11,16H,10H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

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/Q22F7M0T
More data for this
Ligand-Target Pair
Antrax lethal toxin


(Bacillus anthracis)
BDBM91554
PNG
(4-methyl-2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4...)
Show SMILES Cc1csc(n1)N1N=C(CC1c1ccc(C)cc1)c1cccs1
Show InChI InChI=1S/C18H17N3S2/c1-12-5-7-14(8-6-12)16-10-15(17-4-3-9-22-17)20-21(16)18-19-13(2)11-23-18/h3-9,11,16H,10H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

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/Q2668BRK
More data for this
Ligand-Target Pair