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BDBM50198767 DANTROLENE::Dantrolene::F-368

SMILES: [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=N\N2CC(=O)NC2=O)o1

InChI Key: InChIKey=OZOMQRBLCMDCEG-VIZOYTHASA-N

Data: 1 KI  2 IC50

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50198767   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens (Human))
BDBM50198767
PNG
(DANTROLENE | Dantrolene | F-368)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=N\N2CC(=O)NC2=O)o1
Show InChI InChI=1S/C14H10N4O5/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22/h1-7H,8H2,(H,16,19,20)/b15-7+
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.07E+3n/an/an/an/an/an/an/an/a



West Virginia University

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...


Bioorg Med Chem Lett 26: 5350-5353 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.009
BindingDB Entry DOI: 10.7270/Q2ZP483C
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50198767
PNG
(DANTROLENE | Dantrolene | F-368)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=N\N2CC(=O)NC2=O)o1
Show InChI InChI=1S/C14H10N4O5/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22/h1-7H,8H2,(H,16,19,20)/b15-7+
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.46E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Formation of cAMP on Dopamine receptor D2 in vitro in rat intermediate lobe


Drug Metab Dispos 40: 2332-41 (2012)


Article DOI: 10.1124/dmd.112.047068
BindingDB Entry DOI: 10.7270/Q2ZP488M
More data for this
Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens (Human))
BDBM50198767
PNG
(DANTROLENE | Dantrolene | F-368)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1ccc(\C=N\N2CC(=O)NC2=O)o1
Show InChI InChI=1S/C14H10N4O5/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22/h1-7H,8H2,(H,16,19,20)/b15-7+
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.83E+4n/an/an/an/an/an/a



West Virginia University

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...


Bioorg Med Chem Lett 26: 5350-5353 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.009
BindingDB Entry DOI: 10.7270/Q2ZP483C
More data for this
Ligand-Target Pair