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BDBM50363527 CHEMBL1945412::US9481685, [18F]FE-PBR

SMILES: CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1ccccc1n2CCF

InChI Key: InChIKey=NVQSVEQNCOWDBV-UHFFFAOYSA-N

Data: 5 KI

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 = 50363527   
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
Benzodiazepine receptors; peripheral & central


(Rattus norvegicus (rat))
BDBM50363527
PNG
(CHEMBL1945412 | US9481685, [18F]FE-PBR)
Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1ccccc1n2CCF
Show InChI InChI=1S/C22H23FN2OS/c1-3-24(4-2)22(26)21-19-15-9-5-7-11-17(15)25(14-13-23)20(19)16-10-6-8-12-18(16)27-21/h5-12,21H,3-4,13-14H2,1-2H3
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PC sid
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PubMed
0.220n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenates


Bioorg Med Chem Lett 23: 2368-72 (2013)


BindingDB Entry DOI: 10.7270/Q2PR7ZW9
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50363527
PNG
(CHEMBL1945412 | US9481685, [18F]FE-PBR)
Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1ccccc1n2CCF
Show InChI InChI=1S/C22H23FN2OS/c1-3-24(4-2)22(26)21-19-15-9-5-7-11-17(15)25(14-13-23)20(19)16-10-6-8-12-18(16)27-21/h5-12,21H,3-4,13-14H2,1-2H3
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PC sid
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Article
PubMed
0.670n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO receptor in Wistar rat heart homogenate after 15 mins


Bioorg Med Chem Lett 22: 1308-13 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.084
BindingDB Entry DOI: 10.7270/Q2RR1ZPZ
More data for this
Ligand-Target Pair
Benzodiazepine receptors; peripheral & central


(Rattus norvegicus (rat))
BDBM50363527
PNG
(CHEMBL1945412 | US9481685, [18F]FE-PBR)
Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1ccccc1n2CCF
Show InChI InChI=1S/C22H23FN2OS/c1-3-24(4-2)22(26)21-19-15-9-5-7-11-17(15)25(14-13-23)20(19)16-10-6-8-12-18(16)27-21/h5-12,21H,3-4,13-14H2,1-2H3
PDB

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PC sid
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PubMed
0.680n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenates


Bioorg Med Chem Lett 23: 2368-72 (2013)


BindingDB Entry DOI: 10.7270/Q2PR7ZW9
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50363527
PNG
(CHEMBL1945412 | US9481685, [18F]FE-PBR)
Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1ccccc1n2CCF
Show InChI InChI=1S/C22H23FN2OS/c1-3-24(4-2)22(26)21-19-15-9-5-7-11-17(15)25(14-13-23)20(19)16-10-6-8-12-18(16)27-21/h5-12,21H,3-4,13-14H2,1-2H3
PDB

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US Patent
0.680n/an/an/an/an/an/a7.4n/a



GE Healthcare Limited

US Patent


Assay Description
The compounds were screened for their affinity for PBR using a method adapted from Le Fur et al (Life Sci. 1983; USA 33: 449-57).The compounds to be ...


US Patent US9481685 (2016)


BindingDB Entry DOI: 10.7270/Q25M64NT
More data for this
Ligand-Target Pair
Benzodiazepine receptors; peripheral & central


(Rattus norvegicus (rat))
BDBM50363527
PNG
(CHEMBL1945412 | US9481685, [18F]FE-PBR)
Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1ccccc1n2CCF
Show InChI InChI=1S/C22H23FN2OS/c1-3-24(4-2)22(26)21-19-15-9-5-7-11-17(15)25(14-13-23)20(19)16-10-6-8-12-18(16)27-21/h5-12,21H,3-4,13-14H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
5.20n/an/an/an/an/an/an/an/a



GE Healthcare

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenates


Bioorg Med Chem Lett 23: 2368-72 (2013)


BindingDB Entry DOI: 10.7270/Q2PR7ZW9
More data for this
Ligand-Target Pair