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SMILES: CCN(Cc1cccc(OC)c1)C(=O)Cn1c2ccccc2c2cc(ccc12)-c1ccccc1

InChI Key: InChIKey=WMIYYHPGWOFADE-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 2 hits for monomerid = 50509045   
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))
BDBM50509045
PNG
(CHEMBL4461372)
Show SMILES CCN(Cc1cccc(OC)c1)C(=O)Cn1c2ccccc2c2cc(ccc12)-c1ccccc1
Show InChI InChI=1S/C30H28N2O2/c1-3-31(20-22-10-9-13-25(18-22)34-2)30(33)21-32-28-15-8-7-14-26(28)27-19-24(16-17-29(27)32)23-11-5-4-6-12-23/h4-19H,3,20-21H2,1-2H3
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
385n/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))
BDBM50509045
PNG
(CHEMBL4461372)
Show SMILES CCN(Cc1cccc(OC)c1)C(=O)Cn1c2ccccc2c2cc(ccc12)-c1ccccc1
Show InChI InChI=1S/C30H28N2O2/c1-3-31(20-22-10-9-13-25(18-22)34-2)30(33)21-32-28-15-8-7-14-26(28)27-19-24(16-17-29(27)32)23-11-5-4-6-12-23/h4-19H,3,20-21H2,1-2H3
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
418n/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