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PubMed code 26218651

Compile data set for download or QSAR
Found 16 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))		BDBM50117259
PNG
(CHEMBL3613363)
Show SMILES CN(C)C(=O)Cc1nn(-c2ccc(OCC#CCF)cc2)c(=O)c2n(C)c3cc(Cl)ccc3c12
Show InChI InChI=1S/C25H22ClFN4O3/c1-29(2)22(32)15-20-23-19-11-6-16(26)14-21(19)30(3)24(23)25(33)31(28-20)17-7-9-18(10-8-17)34-13-5-4-12-27/h6-11,14H,12-13,15H2,1-3H3
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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 rat heart membrane TSPO

Eur J Med Chem 101: 736-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.033
BindingDB Entry DOI: 10.7270/Q26H4K6W
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50117212
PNG
(CHEMBL3613360)
Show SMILES CN(C)C(=O)Cc1nn(-c2ccc(OCCCF)cc2)c(=O)c2n(C)c3cc(Cl)ccc3c12
Show InChI InChI=1S/C24H24ClFN4O3/c1-28(2)21(31)14-19-22-18-10-5-15(25)13-20(18)29(3)23(22)24(32)30(27-19)16-6-8-17(9-7-16)33-12-4-11-26/h5-10,13H,4,11-12,14H2,1-3H3
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 0.400n/an/an/an/an/an/an/an/a



France; Inserm / CEA / Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from rat heart membrane TSPO

Eur J Med Chem 101: 736-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.033
BindingDB Entry DOI: 10.7270/Q26H4K6W
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50117211
PNG
(CHEMBL3613361)
Show SMILES CN(C)C(=O)Cc1nn(-c2ccc(OCCCCF)cc2)c(=O)c2n(C)c3cc(Cl)ccc3c12
Show InChI InChI=1S/C25H26ClFN4O3/c1-29(2)22(32)15-20-23-19-11-6-16(26)14-21(19)30(3)24(23)25(33)31(28-20)17-7-9-18(10-8-17)34-13-5-4-12-27/h6-11,14H,4-5,12-13,15H2,1-3H3
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 0.420n/an/an/an/an/an/an/an/a



France; Inserm / CEA / Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from rat heart membrane TSPO

Eur J Med Chem 101: 736-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.033
BindingDB Entry DOI: 10.7270/Q26H4K6W
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50117258
PNG
(CHEMBL3613358)
Show SMILES COc1ccc(cc1)-n1nc(CC(=O)N(C)C)c2c3ccc(Cl)cc3n(C)c2c1=O
Show InChI InChI=1S/C22H21ClN4O3/c1-25(2)19(28)12-17-20-16-10-5-13(23)11-18(16)26(3)21(20)22(29)27(24-17)14-6-8-15(30-4)9-7-14/h5-11H,12H2,1-4H3
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 0.680n/an/an/an/an/an/an/an/a



France; Inserm / CEA / Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from rat heart membrane TSPO

Eur J Med Chem 101: 736-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.033
BindingDB Entry DOI: 10.7270/Q26H4K6W
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50255226
PNG
((7-chloro-N,N,5-trimethyl-4-oxo-3-phenyl-3,5-dihyd...)
Show SMILES CN(C)C(=O)Cc1nn(-c2ccccc2)c(=O)c2n(C)c3cc(Cl)ccc3c12
Show InChI InChI=1S/C21H19ClN4O2/c1-24(2)18(27)12-16-19-15-10-9-13(22)11-17(15)25(3)20(19)21(28)26(23-16)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3
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 0.830n/an/an/an/an/an/an/an/a



France; Inserm / CEA / Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from rat heart membrane TSPO

Eur J Med Chem 101: 736-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.033
BindingDB Entry DOI: 10.7270/Q26H4K6W
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50117265
PNG
(CHEMBL3613362)
Show SMILES CN(C)C(=O)Cc1nn(-c2ccc(OC\C=C\CF)cc2)c(=O)c2n(C)c3cc(Cl)ccc3c12
Show InChI InChI=1S/C25H24ClFN4O3/c1-29(2)22(32)15-20-23-19-11-6-16(26)14-21(19)30(3)24(23)25(33)31(28-20)17-7-9-18(10-8-17)34-13-5-4-12-27/h4-11,14H,12-13,15H2,1-3H3/b5-4+
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 0.960n/an/an/an/an/an/an/an/a



France; Inserm / CEA / Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from rat heart membrane TSPO

Eur J Med Chem 101: 736-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.033
BindingDB Entry DOI: 10.7270/Q26H4K6W
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50117210
PNG
(CHEMBL3613359)
Show SMILES CN(C)C(=O)Cc1nn(-c2ccc(OCCF)cc2)c(=O)c2n(C)c3cc(Cl)ccc3c12
Show InChI InChI=1S/C23H22ClFN4O3/c1-27(2)20(30)13-18-21-17-9-4-14(24)12-19(17)28(3)22(21)23(31)29(26-18)15-5-7-16(8-6-15)32-11-10-25/h4-9,12H,10-11,13H2,1-3H3
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 1.40n/an/an/an/an/an/an/an/a



France; Inserm / CEA / Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from rat heart membrane TSPO

Eur J Med Chem 101: 736-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.033
BindingDB Entry DOI: 10.7270/Q26H4K6W
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50117266
PNG
(CHEMBL3613365)
Show SMILES CN(C)C(=O)Cc1nn(-c2ccc(OCCOCCOCCF)cc2)c(=O)c2n(C)c3cc(Cl)ccc3c12
Show InChI InChI=1S/C27H30ClFN4O5/c1-31(2)24(34)17-22-25-21-9-4-18(28)16-23(21)32(3)26(25)27(35)33(30-22)19-5-7-20(8-6-19)38-15-14-37-13-12-36-11-10-29/h4-9,16H,10-15,17H2,1-3H3
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 1.5n/an/an/an/an/an/an/an/a



France; Inserm / CEA / Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from rat heart membrane TSPO

Eur J Med Chem 101: 736-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.033
BindingDB Entry DOI: 10.7270/Q26H4K6W
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50117213
PNG
(CHEMBL3613366)
Show SMILES CN(C)C(=O)Cc1nn(-c2ccccc2)c(=O)c2n(CCF)c3cc(Cl)ccc3c12
Show InChI InChI=1S/C22H20ClFN4O2/c1-26(2)19(29)13-17-20-16-9-8-14(23)12-18(16)27(11-10-24)21(20)22(30)28(25-17)15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3
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 4.10n/an/an/an/an/an/an/an/a



France; Inserm / CEA / Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from rat heart membrane TSPO

Eur J Med Chem 101: 736-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.033
BindingDB Entry DOI: 10.7270/Q26H4K6W
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50117205
PNG
(CHEMBL3613370)
Show SMILES CN(C)C(=O)Cc1nn(-c2ccccc2)c(=O)c2n(CC#CCF)c3cc(Cl)ccc3c12
Show InChI InChI=1S/C24H20ClFN4O2/c1-28(2)21(31)15-19-22-18-11-10-16(25)14-20(18)29(13-7-6-12-26)23(22)24(32)30(27-19)17-8-4-3-5-9-17/h3-5,8-11,14H,12-13,15H2,1-2H3
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 4.20n/an/an/an/an/an/an/an/a



France; Inserm / CEA / Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from rat heart membrane TSPO

Eur J Med Chem 101: 736-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.033
BindingDB Entry DOI: 10.7270/Q26H4K6W
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50117267
PNG
(CHEMBL3613364)
Show SMILES CN(C)C(=O)Cc1nn(-c2ccc(OCCOCCF)cc2)c(=O)c2n(C)c3cc(Cl)ccc3c12
Show InChI InChI=1S/C25H26ClFN4O4/c1-29(2)22(32)15-20-23-19-9-4-16(26)14-21(19)30(3)24(23)25(33)31(28-20)17-5-7-18(8-6-17)35-13-12-34-11-10-27/h4-9,14H,10-13,15H2,1-3H3
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 4.20n/an/an/an/an/an/an/an/a



France; Inserm / CEA / Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from rat heart membrane TSPO

Eur J Med Chem 101: 736-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.033
BindingDB Entry DOI: 10.7270/Q26H4K6W
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50117206
PNG
(CHEMBL3613369)
Show SMILES CN(C)C(=O)Cc1nn(-c2ccccc2)c(=O)c2n(C\C=C\CF)c3cc(Cl)ccc3c12
Show InChI InChI=1S/C24H22ClFN4O2/c1-28(2)21(31)15-19-22-18-11-10-16(25)14-20(18)29(13-7-6-12-26)23(22)24(32)30(27-19)17-8-4-3-5-9-17/h3-11,14H,12-13,15H2,1-2H3/b7-6+
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 8.10n/an/an/an/an/an/an/an/a



France; Inserm / CEA / Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from rat heart membrane TSPO

Eur J Med Chem 101: 736-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.033
BindingDB Entry DOI: 10.7270/Q26H4K6W
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50117209
PNG
(CHEMBL3613367)
Show SMILES CN(C)C(=O)Cc1nn(-c2ccccc2)c(=O)c2n(CCCF)c3cc(Cl)ccc3c12
Show InChI InChI=1S/C23H22ClFN4O2/c1-27(2)20(30)14-18-21-17-10-9-15(24)13-19(17)28(12-6-11-25)22(21)23(31)29(26-18)16-7-4-3-5-8-16/h3-5,7-10,13H,6,11-12,14H2,1-2H3
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 61n/an/an/an/an/an/an/an/a



France; Inserm / CEA / Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from rat heart membrane TSPO

Eur J Med Chem 101: 736-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.033
BindingDB Entry DOI: 10.7270/Q26H4K6W
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50117208
PNG
(CHEMBL3613368)
Show SMILES CN(C)C(=O)Cc1nn(-c2ccccc2)c(=O)c2n(CCCCF)c3cc(Cl)ccc3c12
Show InChI InChI=1S/C24H24ClFN4O2/c1-28(2)21(31)15-19-22-18-11-10-16(25)14-20(18)29(13-7-6-12-26)23(22)24(32)30(27-19)17-8-4-3-5-9-17/h3-5,8-11,14H,6-7,12-13,15H2,1-2H3
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 120n/an/an/an/an/an/an/an/a



France; Inserm / CEA / Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from rat heart membrane TSPO

Eur J Med Chem 101: 736-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.033
BindingDB Entry DOI: 10.7270/Q26H4K6W
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50117202
PNG
(CHEMBL3613371)
Show SMILES CN(C)C(=O)Cc1nn(-c2ccccc2)c(=O)c2n(CCOCCF)c3cc(Cl)ccc3c12
Show InChI InChI=1S/C24H24ClFN4O3/c1-28(2)21(31)15-19-22-18-9-8-16(25)14-20(18)29(11-13-33-12-10-26)23(22)24(32)30(27-19)17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3
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 130n/an/an/an/an/an/an/an/a



France; Inserm / CEA / Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from rat heart membrane TSPO

Eur J Med Chem 101: 736-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.033
BindingDB Entry DOI: 10.7270/Q26H4K6W
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))		BDBM50117201
PNG
(CHEMBL3613372)
Show SMILES CN(C)C(=O)Cc1nn(-c2ccccc2)c(=O)c2n(CCOCCOCCF)c3cc(Cl)ccc3c12
Show InChI InChI=1S/C26H28ClFN4O4/c1-30(2)23(33)17-21-24-20-9-8-18(27)16-22(20)31(11-13-36-15-14-35-12-10-28)25(24)26(34)32(29-21)19-6-4-3-5-7-19/h3-9,16H,10-15,17H2,1-2H3
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 920n/an/an/an/an/an/an/an/a



France; Inserm / CEA / Universit£ Paris Sud

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from rat heart membrane TSPO

Eur J Med Chem 101: 736-45 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.033
BindingDB Entry DOI: 10.7270/Q26H4K6W
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%