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SMILES: CCN(CC)C(=O)Cn1c2ccccc2c2ccccc12

InChI Key: InChIKey=JCKRBQWAYBXLNJ-UHFFFAOYSA-N

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 4 hits for monomerid = 50509034   
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
Translocator protein


(Homo sapiens (Human))
BDBM50509034
PNG
(CHEMBL4173118)
Show SMILES CCN(CC)C(=O)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C18H20N2O/c1-3-19(4-2)18(21)13-20-16-11-7-5-9-14(16)15-10-6-8-12-17(15)20/h5-12H,3-4,13H2,1-2H3
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
30n/an/an/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from wild-type human TSPO expressed in HEK293 cell membranes after 90 mins by scintillation counting method


J Med Chem 62: 8235-8248 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00980
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50509034
PNG
(CHEMBL4173118)
Show SMILES CCN(CC)C(=O)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C18H20N2O/c1-3-19(4-2)18(21)13-20-16-11-7-5-9-14(16)15-10-6-8-12-17(15)20/h5-12H,3-4,13H2,1-2H3
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
30n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50509034
PNG
(CHEMBL4173118)
Show SMILES CCN(CC)C(=O)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C18H20N2O/c1-3-19(4-2)18(21)13-20-16-11-7-5-9-14(16)15-10-6-8-12-17(15)20/h5-12H,3-4,13H2,1-2H3
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
177n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50509034
PNG
(CHEMBL4173118)
Show SMILES CCN(CC)C(=O)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C18H20N2O/c1-3-19(4-2)18(21)13-20-16-11-7-5-9-14(16)15-10-6-8-12-17(15)20/h5-12H,3-4,13H2,1-2H3
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
177n/an/an/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from human TSPO A147T mutant expressed in HEK293 cell membranes after 90 mins by scintillation counting method


J Med Chem 62: 8235-8248 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00980
More data for this
Ligand-Target Pair