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BDBM51078 6-amino-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-benzo[de]isoquinoline-1,3(2H)-dione::6-amino-2-(1,3,5-trimethyl-4-pyrazolyl)benzo[de]isoquinoline-1,3-dione::6-amino-2-(1,3,5-trimethylpyrazol-4-yl)benzo[de]isoquinoline-1,3-dione::6-amino-2-(1,3,5-trimethylpyrazol-4-yl)benzo[de]isoquinoline-1,3-quinone::6-azanyl-2-(1,3,5-trimethylpyrazol-4-yl)benzo[de]isoquinoline-1,3-dione::MLS000706012::SMR000227538::cid_839988

SMILES: Cc1nn(C)c(C)c1N1C(=O)c2cccc3c(N)ccc(C1=O)c23

InChI Key: InChIKey=OJJIQVMOZAXPHT-UHFFFAOYSA-N

Data: 4 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 5 hits for monomerid = 51078   
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
BZLF2


(Human herpesvirus 4 type 2)
BDBM51078
PNG
(6-amino-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-ben...)
Show SMILES Cc1nn(C)c(C)c1N1C(=O)c2cccc3c(N)ccc(C1=O)c23
Show InChI InChI=1S/C18H16N4O2/c1-9-16(10(2)21(3)20-9)22-17(23)12-6-4-5-11-14(19)8-7-13(15(11)12)18(22)24/h4-8H,19H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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UniChem

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PCBioAssay
n/an/a 1.46E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM51078
PNG
(6-amino-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-ben...)
Show SMILES Cc1nn(C)c(C)c1N1C(=O)c2cccc3c(N)ccc(C1=O)c23
Show InChI InChI=1S/C18H16N4O2/c1-9-16(10(2)21(3)20-9)22-17(23)12-6-4-5-11-14(19)8-7-13(15(11)12)18(22)24/h4-8H,19H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
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UniChem

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PCBioAssay
n/an/a 8.99E+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) 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)
BDBM51078
PNG
(6-amino-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-ben...)
Show SMILES Cc1nn(C)c(C)c1N1C(=O)c2cccc3c(N)ccc(C1=O)c23
Show InChI InChI=1S/C18H16N4O2/c1-9-16(10(2)21(3)20-9)22-17(23)12-6-4-5-11-14(19)8-7-13(15(11)12)18(22)24/h4-8H,19H2,1-3H3
PDB

KEGG

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n/an/an/an/a 1.43E+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)
BDBM51078
PNG
(6-amino-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-ben...)
Show SMILES Cc1nn(C)c(C)c1N1C(=O)c2cccc3c(N)ccc(C1=O)c23
Show InChI InChI=1S/C18H16N4O2/c1-9-16(10(2)21(3)20-9)22-17(23)12-6-4-5-11-14(19)8-7-13(15(11)12)18(22)24/h4-8H,19H2,1-3H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
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n/an/a 9.30E+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) 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...)
BDBM51078
PNG
(6-amino-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-ben...)
Show SMILES Cc1nn(C)c(C)c1N1C(=O)c2cccc3c(N)ccc(C1=O)c23
Show InChI InChI=1S/C18H16N4O2/c1-9-16(10(2)21(3)20-9)22-17(23)12-6-4-5-11-14(19)8-7-13(15(11)12)18(22)24/h4-8H,19H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 5.25E+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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


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