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BDBM50046462 2-{3-[5-fluoro-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-15-yl]propyl}-1,3-isoindolinedione::CHEMBL119725

SMILES: Fc1ccc2[nH]c3CC4CCC(N4CCCN4C(=O)c5ccccc5C4=O)c3c2c1

InChI Key: InChIKey=UWOJGRHXHUGQNA-UHFFFAOYNA-N

Data: 1 KI  2 IC50

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 = 50046462   
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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50046462
PNG
(2-{3-[5-fluoro-9,15-diazatetracyclo[10.2.1.02,10.0...)
Show SMILES Fc1ccc2[nH]c3CC4CCC(N4CCCN4C(=O)c5ccccc5C4=O)c3c2c1
Show InChI InChI=1/C24H22FN3O2/c25-14-6-8-19-18(12-14)22-20(26-19)13-15-7-9-21(22)27(15)10-3-11-28-23(29)16-4-1-2-5-17(16)24(28)30/h1-2,4-6,8,12,15,21,26H,3,7,9-11,13H2
Reactome pathway
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.23E+4n/an/an/an/an/an/an/an/a



Scios-Nova Inc.

Curated by ChEMBL


Assay Description
Binding affinity against D2 receptor in rat corpus striatum using [3H]-sulpiride as the radioligand


J Med Chem 36: 343-52 (1993)


Article DOI: 10.1021/jm00055a005
BindingDB Entry DOI: 10.7270/Q21J98TX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50046462
PNG
(2-{3-[5-fluoro-9,15-diazatetracyclo[10.2.1.02,10.0...)
Show SMILES Fc1ccc2[nH]c3CC4CCC(N4CCCN4C(=O)c5ccccc5C4=O)c3c2c1
Show InChI InChI=1/C24H22FN3O2/c25-14-6-8-19-18(12-14)22-20(26-19)13-15-7-9-21(22)27(15)10-3-11-28-23(29)16-4-1-2-5-17(16)24(28)30/h1-2,4-6,8,12,15,21,26H,3,7,9-11,13H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.33E+3n/an/an/an/an/an/a



Scios-Nova Inc.

Curated by ChEMBL


Assay Description
Binding affinity against sigma sites in guinea pig membrane using [3H]-(+)-3-PPP as the radioligand


J Med Chem 36: 343-52 (1993)


Article DOI: 10.1021/jm00055a005
BindingDB Entry DOI: 10.7270/Q21J98TX
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50046462
PNG
(2-{3-[5-fluoro-9,15-diazatetracyclo[10.2.1.02,10.0...)
Show SMILES Fc1ccc2[nH]c3CC4CCC(N4CCCN4C(=O)c5ccccc5C4=O)c3c2c1
Show InChI InChI=1/C24H22FN3O2/c25-14-6-8-19-18(12-14)22-20(26-19)13-15-7-9-21(22)27(15)10-3-11-28-23(29)16-4-1-2-5-17(16)24(28)30/h1-2,4-6,8,12,15,21,26H,3,7,9-11,13H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 836n/an/an/an/an/an/a



Scios-Nova Inc.

Curated by ChEMBL


Assay Description
Binding affinity against sigma sites in guinea pig membrane using [3H]-DTG as the radioligand


J Med Chem 36: 343-52 (1993)


Article DOI: 10.1021/jm00055a005
BindingDB Entry DOI: 10.7270/Q21J98TX
More data for this
Ligand-Target Pair