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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Translocator protein' and Ligand = 'BDBM50131380'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Translocator protein


(Homo sapiens (Human))
BDBM50131380
PNG
(CHEMBL3634878)
Show SMILES CCN(CC)C(=O)Cn1c(nc2c(C)cc(C)nc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C21H26N4O2/c1-6-24(7-2)18(26)13-25-20(16-8-10-17(27-5)11-9-16)23-19-14(3)12-15(4)22-21(19)25/h8-12H,6-7,13H2,1-5H3
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
29n/an/an/an/an/an/an/an/a



University of New South Wales

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in human T98G cell membranes incubated for 90 mins by competition radioligand binding assay


J Med Chem 58: 8743-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01288
BindingDB Entry DOI: 10.7270/Q2Q24222
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50131380
PNG
(CHEMBL3634878)
Show SMILES CCN(CC)C(=O)Cn1c(nc2c(C)cc(C)nc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C21H26N4O2/c1-6-24(7-2)18(26)13-25-20(16-8-10-17(27-5)11-9-16)23-19-14(3)12-15(4)22-21(19)25/h8-12H,6-7,13H2,1-5H3
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
144n/an/an/an/an/an/an/an/a



University of New South Wales

Curated by ChEMBL


Assay Description
Inhibition constant against Adenosine A2a receptor


J Med Chem 58: 8743-9 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01288
BindingDB Entry DOI: 10.7270/Q2Q24222
More data for this
Ligand-Target Pair