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BDBM73825 6-amino-2-(3-methylbutyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, Un-nameable (empty structure)::6-amino-2-(3-methylbutyl)benzo[de]isoquinoline-1,3-dione::6-amino-2-isoamyl-benzo[de]isoquinoline-1,3-quinone::6-azanyl-2-(3-methylbutyl)benzo[de]isoquinoline-1,3-dione::MLS001143836::SMR000473275::cid_3089611

SMILES: CC(C)CCN1C(=O)c2cccc3c(N)ccc(C1=O)c23

InChI Key: InChIKey=RFIVTCCOIOUDON-UHFFFAOYSA-N

Data: 2 IC50  1 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 = 73825   
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
Protein LANA1


(Human herpesvirus 8)
BDBM73825
PNG
(6-amino-2-(3-methylbutyl)-1H-benzo[de]isoquinoline...)
Show SMILES CC(C)CCN1C(=O)c2cccc3c(N)ccc(C1=O)c23
Show InChI InChI=1S/C17H18N2O2/c1-10(2)8-9-19-16(20)12-5-3-4-11-14(18)7-6-13(15(11)12)17(19)21/h3-7,10H,8-9,18H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.40E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
Beta-lactamase


(Pseudomonas aeruginosa)
BDBM73825
PNG
(6-amino-2-(3-methylbutyl)-1H-benzo[de]isoquinoline...)
Show SMILES CC(C)CCN1C(=O)c2cccc3c(N)ccc(C1=O)c23
Show InChI InChI=1S/C17H18N2O2/c1-10(2)8-9-19-16(20)12-5-3-4-11-14(18)7-6-13(15(11)12)17(19)21/h3-7,10H,8-9,18H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
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PC cid
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UniChem

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PCBioAssay
n/an/a 4.77E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2G15ZB8
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM73825
PNG
(6-amino-2-(3-methylbutyl)-1H-benzo[de]isoquinoline...)
Show SMILES CC(C)CCN1C(=O)c2cccc3c(N)ccc(C1=O)c23
Show InChI InChI=1S/C17H18N2O2/c1-10(2)8-9-19-16(20)12-5-3-4-11-14(18)7-6-13(15(11)12)17(19)21/h3-7,10H,8-9,18H2,1-2H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 4.09E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2KS6Q2P
More data for this
Ligand-Target Pair