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PubMed code 26461041

Compile data set for download or QSAR
Found 10 hits of Enzyme Inhibition Constant Data   
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))
BDBM50327238
PNG
(2-[2-(4'-Methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a...)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C21H26N4O2/c1-6-24(7-2)19(26)13-18-20(16-8-10-17(27-5)11-9-16)23-25-15(4)12-14(3)22-21(18)25/h8-12H,6-7,13H2,1-5H3
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Article
PubMed
6.70n/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))
BDBM50327238
PNG
(2-[2-(4'-Methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a...)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C21H26N4O2/c1-6-24(7-2)19(26)13-18-20(16-8-10-17(27-5)11-9-16)23-25-15(4)12-14(3)22-21(18)25/h8-12H,6-7,13H2,1-5H3
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Article
PubMed
8.20n/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
Translocator protein


(Homo sapiens (Human))
BDBM50131400
PNG
(CHEMBL3634876)
Show SMILES CCN(CC)C(=O)Cn1c(cc2c(C)cc(C)cc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C23H28N2O2/c1-6-24(7-2)23(26)15-25-21(18-8-10-19(27-5)11-9-18)14-20-17(4)12-16(3)13-22(20)25/h8-14H,6-7,15H2,1-5H3
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Article
PubMed
28n/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
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

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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

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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
Translocator protein


(Homo sapiens (Human))
BDBM50131399
PNG
(CHEMBL3634877)
Show SMILES CCN(CC)C(=O)Cn1c(nc2c(C)cc(C)cc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C22H27N3O2/c1-6-24(7-2)20(26)14-25-19-13-15(3)12-16(4)21(19)23-22(25)17-8-10-18(27-5)11-9-17/h8-13H,6-7,14H2,1-5H3
KEGG

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Article
PubMed
224n/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))
BDBM50131399
PNG
(CHEMBL3634877)
Show SMILES CCN(CC)C(=O)Cn1c(nc2c(C)cc(C)cc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C22H27N3O2/c1-6-24(7-2)20(26)14-25-19-13-15(3)12-16(4)21(19)23-22(25)17-8-10-18(27-5)11-9-17/h8-13H,6-7,14H2,1-5H3
KEGG

UniProtKB/SwissProt

DrugBank
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PC cid
PC sid
UniChem

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Article
PubMed
398n/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
Translocator protein


(Homo sapiens (Human))
BDBM50131400
PNG
(CHEMBL3634876)
Show SMILES CCN(CC)C(=O)Cn1c(cc2c(C)cc(C)cc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C23H28N2O2/c1-6-24(7-2)23(26)15-25-21(18-8-10-19(27-5)11-9-18)14-20-17(4)12-16(3)13-22(20)25/h8-14H,6-7,15H2,1-5H3
KEGG

UniProtKB/SwissProt

DrugBank
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PC cid
PC sid
UniChem

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Article
PubMed
806n/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))
BDBM50131379
PNG
(CHEMBL3634879)
Show SMILES CCN(CC)C(=O)Cn1c(nc2c(C)nc(C)nc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C20H25N5O2/c1-6-24(7-2)17(26)12-25-19(15-8-10-16(27-5)11-9-15)23-18-13(3)21-14(4)22-20(18)25/h8-11H,6-7,12H2,1-5H3
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
>1.00E+4n/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))
BDBM50131379
PNG
(CHEMBL3634879)
Show SMILES CCN(CC)C(=O)Cn1c(nc2c(C)nc(C)nc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C20H25N5O2/c1-6-24(7-2)17(26)12-25-19(15-8-10-16(27-5)11-9-15)23-18-13(3)21-14(4)22-20(18)25/h8-11H,6-7,12H2,1-5H3
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/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
* indicates data uncertainty>20%