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PubMed code 27688189

Compile data set for download or QSAR
Found 15 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


(Rattus norvegicus (rat))		BDBM50210860
PNG
(CHEMBL3936390)
Show SMILES CCCN(C)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(CCCF)cc1
Show InChI InChI=1S/C23H29FN4O/c1-5-13-27(4)21(29)15-20-22(19-10-8-18(9-11-19)7-6-12-24)26-28-17(3)14-16(2)25-23(20)28/h8-11,14H,5-7,12-13,15H2,1-4H3
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 0.25n/an/an/an/an/an/an/an/a



France; Inserm/CEA/Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat heart membranes after 15 mins by scintillation counting method

Eur J Med Chem 125: 346-359 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.025
BindingDB Entry DOI: 10.7270/Q2TH8PVR
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50210866
PNG
(CHEMBL3979767)
Show SMILES CCCN(CCC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(CCCF)cc1
Show InChI InChI=1S/C25H33FN4O/c1-5-14-29(15-6-2)23(31)17-22-24(21-11-9-20(10-12-21)8-7-13-26)28-30-19(4)16-18(3)27-25(22)30/h9-12,16H,5-8,13-15,17H2,1-4H3
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 0.260n/an/an/an/an/an/an/an/a



France; Inserm/CEA/Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat heart membranes after 15 mins by scintillation counting method

Eur J Med Chem 125: 346-359 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.025
BindingDB Entry DOI: 10.7270/Q2TH8PVR
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50210858
PNG
(CHEMBL3906952)
Show SMILES CN(Cc1ccccc1)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(CCCF)cc1
Show InChI InChI=1S/C27H29FN4O/c1-19-16-20(2)32-27(29-19)24(17-25(33)31(3)18-22-8-5-4-6-9-22)26(30-32)23-13-11-21(12-14-23)10-7-15-28/h4-6,8-9,11-14,16H,7,10,15,17-18H2,1-3H3
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 0.300n/an/an/an/an/an/an/an/a



France; Inserm/CEA/Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat heart membranes after 15 mins by scintillation counting method

Eur J Med Chem 125: 346-359 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.025
BindingDB Entry DOI: 10.7270/Q2TH8PVR
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50243008
PNG
(CHEMBL469682 | N,N-Diethyl-2-(2-(4-(3-fluoropropox...)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OCCCF)cc1
Show InChI InChI=1S/C23H29FN4O2/c1-5-27(6-2)21(29)15-20-22(26-28-17(4)14-16(3)25-23(20)28)18-8-10-19(11-9-18)30-13-7-12-24/h8-11,14H,5-7,12-13,15H2,1-4H3
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 0.370n/an/an/an/an/an/an/an/a



France; Inserm/CEA/Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat heart membranes after 15 mins by scintillation counting method

Eur J Med Chem 125: 346-359 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.025
BindingDB Entry DOI: 10.7270/Q2TH8PVR
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50243007
PNG
(2-(2-(4-(2-Fluoroethoxy)phenyl)-5,7-dimethylpyrazo...)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OCCF)cc1
Show InChI InChI=1S/C22H27FN4O2/c1-5-26(6-2)20(28)14-19-21(17-7-9-18(10-8-17)29-12-11-23)25-27-16(4)13-15(3)24-22(19)27/h7-10,13H,5-6,11-12,14H2,1-4H3
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 0.910n/an/an/an/an/an/an/an/a



France; Inserm/CEA/Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat heart membranes after 15 mins by scintillation counting method

Eur J Med Chem 125: 346-359 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.025
BindingDB Entry DOI: 10.7270/Q2TH8PVR
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50210857
PNG
(CHEMBL3938340)
Show SMILES CN(CCc1ccccc1)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(CCCF)cc1
Show InChI InChI=1S/C28H31FN4O/c1-20-18-21(2)33-28(30-20)25(19-26(34)32(3)17-15-22-8-5-4-6-9-22)27(31-33)24-13-11-23(12-14-24)10-7-16-29/h4-6,8-9,11-14,18H,7,10,15-17,19H2,1-3H3
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 1.10n/an/an/an/an/an/an/an/a



France; Inserm/CEA/Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat heart membranes after 15 mins by scintillation counting method

Eur J Med Chem 125: 346-359 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.025
BindingDB Entry DOI: 10.7270/Q2TH8PVR
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50210864
PNG
(CHEMBL3960249)
Show SMILES CN(Cc1ccccn1)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(CCCF)cc1
Show InChI InChI=1S/C26H28FN5O/c1-18-15-19(2)32-26(29-18)23(16-24(33)31(3)17-22-8-4-5-14-28-22)25(30-32)21-11-9-20(10-12-21)7-6-13-27/h4-5,8-12,14-15H,6-7,13,16-17H2,1-3H3
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 1.20n/an/an/an/an/an/an/an/a



France; Inserm/CEA/Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat heart membranes after 15 mins by scintillation counting method

Eur J Med Chem 125: 346-359 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.025
BindingDB Entry DOI: 10.7270/Q2TH8PVR
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50210867
PNG
(CHEMBL3923539)
Show SMILES Cc1cc(C)n2nc(c(CC(=O)N3CCCCC3)c2n1)-c1ccc(CCCF)cc1
Show InChI InChI=1S/C24H29FN4O/c1-17-15-18(2)29-24(26-17)21(16-22(30)28-13-4-3-5-14-28)23(27-29)20-10-8-19(9-11-20)7-6-12-25/h8-11,15H,3-7,12-14,16H2,1-2H3
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 2.20n/an/an/an/an/an/an/an/a



France; Inserm/CEA/Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat heart membranes after 15 mins by scintillation counting method

Eur J Med Chem 125: 346-359 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.025
BindingDB Entry DOI: 10.7270/Q2TH8PVR
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50210863
PNG
(CHEMBL3929294)
Show SMILES CN(Cc1cccnc1)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(CCCF)cc1
Show InChI InChI=1S/C26H28FN5O/c1-18-14-19(2)32-26(29-18)23(15-24(33)31(3)17-21-7-5-13-28-16-21)25(30-32)22-10-8-20(9-11-22)6-4-12-27/h5,7-11,13-14,16H,4,6,12,15,17H2,1-3H3
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 2.80n/an/an/an/an/an/an/an/a



France; Inserm/CEA/Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat heart membranes after 15 mins by scintillation counting method

Eur J Med Chem 125: 346-359 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.025
BindingDB Entry DOI: 10.7270/Q2TH8PVR
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50210859
PNG
(CHEMBL3908452)
Show SMILES CN(C)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(CCCF)cc1
Show InChI InChI=1S/C21H25FN4O/c1-14-12-15(2)26-21(23-14)18(13-19(27)25(3)4)20(24-26)17-9-7-16(8-10-17)6-5-11-22/h7-10,12H,5-6,11,13H2,1-4H3
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 15n/an/an/an/an/an/an/an/a



France; Inserm/CEA/Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat heart membranes after 15 mins by scintillation counting method

Eur J Med Chem 125: 346-359 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.025
BindingDB Entry DOI: 10.7270/Q2TH8PVR
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50210865
PNG
(CHEMBL3909555)
Show SMILES Cc1cc(C)n2nc(c(CC(=O)N3CC3)c2n1)-c1ccc(CCCF)cc1
Show InChI InChI=1S/C21H23FN4O/c1-14-12-15(2)26-21(23-14)18(13-19(27)25-10-11-25)20(24-26)17-7-5-16(6-8-17)4-3-9-22/h5-8,12H,3-4,9-11,13H2,1-2H3
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 17n/an/an/an/an/an/an/an/a



France; Inserm/CEA/Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat heart membranes after 15 mins by scintillation counting method

Eur J Med Chem 125: 346-359 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.025
BindingDB Entry DOI: 10.7270/Q2TH8PVR
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50210861
PNG
(CHEMBL3896806)
Show SMILES Cc1cc(C)n2nc(c(CC(=O)N3CCCC3)c2n1)-c1ccc(CCCF)cc1
Show InChI InChI=1S/C23H27FN4O/c1-16-14-17(2)28-23(25-16)20(15-21(29)27-12-3-4-13-27)22(26-28)19-9-7-18(8-10-19)6-5-11-24/h7-10,14H,3-6,11-13,15H2,1-2H3
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 26n/an/an/an/an/an/an/an/a



France; Inserm/CEA/Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat heart membranes after 15 mins by scintillation counting method

Eur J Med Chem 125: 346-359 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.025
BindingDB Entry DOI: 10.7270/Q2TH8PVR
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50210868
PNG
(CHEMBL3981447)
Show SMILES Cc1cc(C)n2nc(c(CC(=O)N3CCOCC3)c2n1)-c1ccc(CCCF)cc1
Show InChI InChI=1S/C23H27FN4O2/c1-16-14-17(2)28-23(25-16)20(15-21(29)27-10-12-30-13-11-27)22(26-28)19-7-5-18(6-8-19)4-3-9-24/h5-8,14H,3-4,9-13,15H2,1-2H3
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 27n/an/an/an/an/an/an/an/a



France; Inserm/CEA/Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat heart membranes after 15 mins by scintillation counting method

Eur J Med Chem 125: 346-359 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.025
BindingDB Entry DOI: 10.7270/Q2TH8PVR
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50210856
PNG
(CHEMBL3906707)
Show SMILES Cc1cc(C)n2nc(c(CC(=O)N3CCC3)c2n1)-c1ccc(CCCF)cc1
Show InChI InChI=1S/C22H25FN4O/c1-15-13-16(2)27-22(24-15)19(14-20(28)26-11-4-12-26)21(25-27)18-8-6-17(7-9-18)5-3-10-23/h6-9,13H,3-5,10-12,14H2,1-2H3
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 32n/an/an/an/an/an/an/an/a



France; Inserm/CEA/Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat heart membranes after 15 mins by scintillation counting method

Eur J Med Chem 125: 346-359 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.025
BindingDB Entry DOI: 10.7270/Q2TH8PVR
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50210862
PNG
(CHEMBL3920384)
Show SMILES Cc1cc(C)n2nc(c(CC(=O)N3CCNCC3)c2n1)-c1ccc(CCCF)cc1
Show InChI InChI=1S/C23H28FN5O/c1-16-14-17(2)29-23(26-16)20(15-21(30)28-12-10-25-11-13-28)22(27-29)19-7-5-18(6-8-19)4-3-9-24/h5-8,14,25H,3-4,9-13,15H2,1-2H3
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 260n/an/an/an/an/an/an/an/a



France; Inserm/CEA/Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat heart membranes after 15 mins by scintillation counting method

Eur J Med Chem 125: 346-359 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.025
BindingDB Entry DOI: 10.7270/Q2TH8PVR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%