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BDBM66129 2-(3-aminophenyl)-6-azanyl-benzo[de]isoquinoline-1,3-dione::6-Amino-2-(3-amino-phenyl)-benzo[de]isoquinoline-1,3-dione::6-amino-2-(3-aminophenyl)benzo[de]isoquinoline-1,3-dione::6-amino-2-(3-aminophenyl)benzo[de]isoquinoline-1,3-quinone::MLS001213036::SMR000513881::cid_832817

SMILES: Nc1cccc(c1)N1C(=O)c2cccc3c(N)ccc(C1=O)c23

InChI Key: InChIKey=BQCZGIQILFZTOZ-UHFFFAOYSA-N

Data: 3 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 4 hits for monomerid = 66129   
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
Beta lactamase


(Pseudomonas aeruginosa)
BDBM66129
PNG
(2-(3-aminophenyl)-6-azanyl-benzo[de]isoquinoline-1...)
Show SMILES Nc1cccc(c1)N1C(=O)c2cccc3c(N)ccc(C1=O)c23
Show InChI InChI=1S/C18H13N3O2/c19-10-3-1-4-11(9-10)21-17(22)13-6-2-5-12-15(20)8-7-14(16(12)13)18(21)23/h1-9H,19-20H2
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.62E+4n/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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
LANA


(Human herpesvirus 8)
BDBM66129
PNG
(2-(3-aminophenyl)-6-azanyl-benzo[de]isoquinoline-1...)
Show SMILES Nc1cccc(c1)N1C(=O)c2cccc3c(N)ccc(C1=O)c23
Show InChI InChI=1S/C18H13N3O2/c19-10-3-1-4-11(9-10)21-17(22)13-6-2-5-12-15(20)8-7-14(16(12)13)18(21)23/h1-9H,19-20H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 6.19E+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
metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM66129
PNG
(2-(3-aminophenyl)-6-azanyl-benzo[de]isoquinoline-1...)
Show SMILES Nc1cccc(c1)N1C(=O)c2cccc3c(N)ccc(C1=O)c23
Show InChI InChI=1S/C18H13N3O2/c19-10-3-1-4-11(9-10)21-17(22)13-6-2-5-12-15(20)8-7-14(16(12)13)18(21)23/h1-9H,19-20H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 3.10E+4n/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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HT2MRM
More data for this
Ligand-Target Pair
beta-lactamase


(Salmonella enterica subsp. enterica serovar Choler...)
BDBM66129
PNG
(2-(3-aminophenyl)-6-azanyl-benzo[de]isoquinoline-1...)
Show SMILES Nc1cccc(c1)N1C(=O)c2cccc3c(N)ccc(C1=O)c23
Show InChI InChI=1S/C18H13N3O2/c19-10-3-1-4-11(9-10)21-17(22)13-6-2-5-12-15(20)8-7-14(16(12)13)18(21)23/h1-9H,19-20H2
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.68E+4n/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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2NG4P3G
More data for this
Ligand-Target Pair