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BDBM75522 2-(5-Methyl-[1,3,4]thiadiazol-2-yl)-6-nitro-benzo[de]isoquinoline-1,3-dione::2-(5-methyl-1,3,4-thiadiazol-2-yl)-6-nitro-benzo[de]isoquinoline-1,3-dione::2-(5-methyl-1,3,4-thiadiazol-2-yl)-6-nitro-benzo[de]isoquinoline-1,3-quinone::2-(5-methyl-1,3,4-thiadiazol-2-yl)-6-nitrobenzo[de]isoquinoline-1,3-dione::MLS001207628::SMR000505020::cid_548037

SMILES: Cc1nnc(s1)N1C(=O)c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O

InChI Key: InChIKey=PSRMOLGWPSXUTN-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 75522   
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
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM75522
PNG
(2-(5-Methyl-[1,3,4]thiadiazol-2-yl)-6-nitro-benzo[...)
Show SMILES Cc1nnc(s1)N1C(=O)c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O
Show InChI InChI=1S/C15H8N4O4S/c1-7-16-17-15(24-7)18-13(20)9-4-2-3-8-11(19(22)23)6-5-10(12(8)9)14(18)21/h2-6H,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 733n/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/Q2K93612
More data for this
Ligand-Target Pair
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM75522
PNG
(2-(5-Methyl-[1,3,4]thiadiazol-2-yl)-6-nitro-benzo[...)
Show SMILES Cc1nnc(s1)N1C(=O)c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O
Show InChI InChI=1S/C15H8N4O4S/c1-7-16-17-15(24-7)18-13(20)9-4-2-3-8-11(19(22)23)6-5-10(12(8)9)14(18)21/h2-6H,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>1.16E+5n/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/Q2Q23XQJ
More data for this
Ligand-Target Pair