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2 similar compounds to monomer 62820

Compile data set for download or QSAR
Wt: 230.3
BDBM88694
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Wt: 284.3
BDBM95252
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 88694,95252   
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)
BDBM88694
PNG
(MLS000101696 | N-[2-(2-methyl-1-indolyl)ethyl]prop...)
Show SMILES CCC(=O)NCCn1c(C)cc2ccccc12
Show InChI InChI=1S/C14H18N2O/c1-3-14(17)15-8-9-16-11(2)10-12-6-4-5-7-13(12)16/h4-7,10H,3,8-9H2,1-2H3,(H,15,17)
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/Q26D5RK7
More data for this
Ligand-Target Pair
botulinum neurotoxin type A


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM88694
PNG
(MLS000101696 | N-[2-(2-methyl-1-indolyl)ethyl]prop...)
Show SMILES CCC(=O)NCCn1c(C)cc2ccccc12
Show InChI InChI=1S/C14H18N2O/c1-3-14(17)15-8-9-16-11(2)10-12-6-4-5-7-13(12)16/h4-7,10H,3,8-9H2,1-2H3,(H,15,17)
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/Q22N50WB
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95252
PNG
(MLS000529842 | N-[2-(2-methyl-1-indolyl)ethyl]cycl...)
Show SMILES Cc1cc2ccccc2n1CCNC(=O)C1CCCCC1
Show InChI InChI=1S/C18H24N2O/c1-14-13-16-9-5-6-10-17(16)20(14)12-11-19-18(21)15-7-3-2-4-8-15/h5-6,9-10,13,15H,2-4,7-8,11-12H2,1H3,(H,19,21)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.80E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q29W0D3P
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95252
PNG
(MLS000529842 | N-[2-(2-methyl-1-indolyl)ethyl]cycl...)
Show SMILES Cc1cc2ccccc2n1CCNC(=O)C1CCCCC1
Show InChI InChI=1S/C18H24N2O/c1-14-13-16-9-5-6-10-17(16)20(14)12-11-19-18(21)15-7-3-2-4-8-15/h5-6,9-10,13,15H,2-4,7-8,11-12H2,1H3,(H,19,21)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.75E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95252
PNG
(MLS000529842 | N-[2-(2-methyl-1-indolyl)ethyl]cycl...)
Show SMILES Cc1cc2ccccc2n1CCNC(=O)C1CCCCC1
Show InChI InChI=1S/C18H24N2O/c1-14-13-16-9-5-6-10-17(16)20(14)12-11-19-18(21)15-7-3-2-4-8-15/h5-6,9-10,13,15H,2-4,7-8,11-12H2,1H3,(H,19,21)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.37E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2KD1WJB
More data for this
Ligand-Target Pair