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Compile Data Set for Download or QSAR

Found 83 hits of ic50 for UniProtKB: P30536   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Translocator protein


(Homo sapiens (Human))
BDBM50185957
PNG
(CHEMBL205767 | N-(2-isopropoxybenzyl)-N-(4-chloro-...)
Show SMILES CC(C)Oc1ccccc1CN(C(C)=O)c1ccc(Cl)cc1Oc1ccccc1
Show InChI InChI=1S/C24H24ClNO3/c1-17(2)28-23-12-8-7-9-19(23)16-26(18(3)27)22-14-13-20(25)15-24(22)29-21-10-5-4-6-11-21/h4-15,17H,16H2,1-3H3
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n/an/a 0.920n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of TSPO (unknown origin)


Eur J Med Chem 125: 1172-1192 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.017
BindingDB Entry DOI: 10.7270/Q25Q4Z83
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM22032
PNG
(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
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n/an/a 1.10n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of TSPO (unknown origin)


Eur J Med Chem 125: 1172-1192 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.017
BindingDB Entry DOI: 10.7270/Q25Q4Z83
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50210943
PNG
(CHEMBL3970955)
Show SMILES COc1ccc(OC)c(CN(C(C)=O)c2ccc(F)cc2Oc2ccccc2)c1
Show InChI InChI=1S/C23H22FNO4/c1-16(26)25(15-17-13-20(27-2)10-12-22(17)28-3)21-11-9-18(24)14-23(21)29-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3
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n/an/a 1.60n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of TSPO (unknown origin)


Eur J Med Chem 125: 1172-1192 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.017
BindingDB Entry DOI: 10.7270/Q25Q4Z83
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50530439
PNG
(CHEMBL4456416)
Show SMILES CCCN(CCC)C(=O)Cc1c(nc2c(CC(=O)CCCCC(=O)Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@@H]4O)c(=O)n3)cccn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C37H45ClN6O8/c1-3-16-42(17-4-2)31(48)21-27-32(23-11-13-25(38)14-12-23)41-35-24(8-7-18-43(27)35)20-26(46)9-5-6-10-30(47)39-29-15-19-44(37(51)40-29)36-34(50)33(49)28(22-45)52-36/h7-8,11-15,18-19,28,33-34,36,45,49-50H,3-6,9-10,16-17,20-22H2,1-2H3,(H,39,40,47,51)/t28-,33-,34+,36-/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of TSPO (unknown origin)


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111569
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50530439
PNG
(CHEMBL4456416)
Show SMILES CCCN(CCC)C(=O)Cc1c(nc2c(CC(=O)CCCCC(=O)Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@@H]4O)c(=O)n3)cccn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C37H45ClN6O8/c1-3-16-42(17-4-2)31(48)21-27-32(23-11-13-25(38)14-12-23)41-35-24(8-7-18-43(27)35)20-26(46)9-5-6-10-30(47)39-29-15-19-44(37(51)40-29)36-34(50)33(49)28(22-45)52-36/h7-8,11-15,18-19,28,33-34,36,45,49-50H,3-6,9-10,16-17,20-22H2,1-2H3,(H,39,40,47,51)/t28-,33-,34+,36-/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of TSPO (unknown origin)


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111569
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM22041
PNG
(2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridi...)
Show SMILES CCCN(CCC)C(=O)Cc1c(nc2ccc(Cl)cn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23Cl2N3O/c1-3-11-25(12-4-2)20(27)13-18-21(15-5-7-16(22)8-6-15)24-19-10-9-17(23)14-26(18)19/h5-10,14H,3-4,11-13H2,1-2H3
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n/an/a 7.90n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of TSPO (unknown origin)


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111569
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM22041
PNG
(2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridi...)
Show SMILES CCCN(CCC)C(=O)Cc1c(nc2ccc(Cl)cn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23Cl2N3O/c1-3-11-25(12-4-2)20(27)13-18-21(15-5-7-16(22)8-6-15)24-19-10-9-17(23)14-26(18)19/h5-10,14H,3-4,11-13H2,1-2H3
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n/an/a 7.90n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of TSPO (unknown origin)


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111569
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50060121
PNG
(2-(6-Nitro-2-phenyl-imidazo[1,2-a]pyridin-3-yl)-N,...)
Show SMILES CCCN(CCC)C(=O)Cc1c(nc2ccc(cn12)[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C21H24N4O3/c1-3-12-23(13-4-2)20(26)14-18-21(16-8-6-5-7-9-16)22-19-11-10-17(25(27)28)15-24(18)19/h5-11,15H,3-4,12-14H2,1-2H3
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n/an/a 12n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of TSPO (unknown origin)


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111569
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50060121
PNG
(2-(6-Nitro-2-phenyl-imidazo[1,2-a]pyridin-3-yl)-N,...)
Show SMILES CCCN(CCC)C(=O)Cc1c(nc2ccc(cn12)[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C21H24N4O3/c1-3-12-23(13-4-2)20(26)14-18-21(16-8-6-5-7-9-16)22-19-11-10-17(25(27)28)15-24(18)19/h5-11,15H,3-4,12-14H2,1-2H3
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n/an/a 12n/an/an/an/an/an/a



Palack£ University

Curated by ChEMBL


Assay Description
Inhibition of TSPO (unknown origin)


Eur J Med Chem 181: (2019)


Article DOI: 10.1016/j.ejmech.2019.111569
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50378900
PNG
(CHEMBL1672415)
Show SMILES CCc1c(C)c2cc3[nH]c(cc4nc([C@@H](CCC(=O)N(C)CCCCCCN(C)C(=O)c5cc6ccccc6c(n5)-c5ccccc5I)[C@@H]4C)c4cc(O)c5c(C)c(cc1[nH]2)nc45)c(C)c3C=C
Show InChI InChI=1S/C57H60IN7O3/c1-9-37-32(3)44-29-46-34(5)39(54(61-46)42-28-51(66)53-35(6)47(62-56(42)53)31-49-38(10-2)33(4)45(60-49)30-48(37)59-44)23-24-52(67)64(7)25-17-11-12-18-26-65(8)57(68)50-27-36-19-13-14-20-40(36)55(63-50)41-21-15-16-22-43(41)58/h9,13-16,19-22,27-31,34,39,59-60,66H,1,10-12,17-18,23-26H2,2-8H3/b44-29-,45-30-,46-29-,47-31-,48-30-,49-31-,54-42-/t34-,39-/m0/s1
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n/an/a 210n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from PBR after 1 hr by scintillation counting


ACS Med Chem Lett 2: 136-141 (2011)


Article DOI: 10.1021/ml100211g
BindingDB Entry DOI: 10.7270/Q2F76DJG
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50336914
PNG
(3-[(21S,22S)-16-ethenyl-11-ethyl-12,17,21,26-tetra...)
Show SMILES CCc1c(C)c2cc3[nH]c(cc4[nH]c(c(CCC(=O)NCCCCCCNC(=O)c5cc6ccccc6c(n5)-c5ccccc5I)c4C)c4cc(O)c5c(C)c(cc1[nH]2)[nH]c45)c(C)c3C=C
Show InChI InChI=1S/C55H56IN7O3/c1-7-35-30(3)42-27-44-32(5)37(52(61-44)40-26-49(64)51-33(6)45(62-54(40)51)29-47-36(8-2)31(4)43(60-47)28-46(35)59-42)21-22-50(65)57-23-15-9-10-16-24-58-55(66)48-25-34-17-11-12-18-38(34)53(63-48)39-19-13-14-20-41(39)56/h7,11-14,17-20,25-29,59-62,64H,1,8-10,15-16,21-24H2,2-6H3,(H,57,65)(H,58,66)/b42-27-,43-28-,44-27-,45-29-,46-28-,47-29-,52-40-
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n/an/a 310n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from PBR after 1 hr by scintillation counting


ACS Med Chem Lett 2: 136-141 (2011)


Article DOI: 10.1021/ml100211g
BindingDB Entry DOI: 10.7270/Q2F76DJG
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50012189
PNG
(CHEMBL3265238)
Show SMILES COc1cccc(NC[C@H](F)Cn2c3ccc(Br)cc3c3cc(Br)ccc23)n1
Show InChI InChI=1S/C21H18Br2FN3O/c1-28-21-4-2-3-20(26-21)25-11-15(24)12-27-18-7-5-13(22)9-16(18)17-10-14(23)6-8-19(17)27/h2-10,15H,11-12H2,1H3,(H,25,26)/t15-/m0/s1
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n/an/a 350n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of TSPO (unknown origin)


J Med Chem 57: 3746-54 (2014)


Article DOI: 10.1021/jm401919s
BindingDB Entry DOI: 10.7270/Q2J38V3B
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM22032
PNG
(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
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n/an/a 490n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from PBR after 1 hr by scintillation counting


ACS Med Chem Lett 2: 136-141 (2011)


Article DOI: 10.1021/ml100211g
BindingDB Entry DOI: 10.7270/Q2F76DJG
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50378901
PNG
(CHEMBL1672418)
Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1I
Show InChI InChI=1S/C21H21IN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
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n/an/a 620n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from PBR after 1 hr by scintillation counting


ACS Med Chem Lett 2: 136-141 (2011)


Article DOI: 10.1021/ml100211g
BindingDB Entry DOI: 10.7270/Q2F76DJG
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50012191
PNG
(CHEMBL3265237)
Show SMILES COc1cccc(NC[C@@H](F)Cn2c3ccc(Br)cc3c3cc(Br)ccc23)n1
Show InChI InChI=1S/C21H18Br2FN3O/c1-28-21-4-2-3-20(26-21)25-11-15(24)12-27-18-7-5-13(22)9-16(18)17-10-14(23)6-8-19(17)27/h2-10,15H,11-12H2,1H3,(H,25,26)/t15-/m1/s1
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n/an/a 680n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of TSPO (unknown origin)


J Med Chem 57: 3746-54 (2014)


Article DOI: 10.1021/jm401919s
BindingDB Entry DOI: 10.7270/Q2J38V3B
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM220447
PNG
(US10633379, Compound X | US9296741, 36)
Show SMILES CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)c2[nH]ccc12
Show InChI InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3
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n/an/a 800n/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma


J Med Chem 60: 8369-8384 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00746
BindingDB Entry DOI: 10.7270/Q2251MB8
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50378902
PNG
(CHEMBL1672414)
Show SMILES CCc1c(C)c2cc3[nH]c(cc4nc([C@@H](CCC(=O)N(C)CCN(C)C(=O)c5cc6ccccc6c(n5)-c5ccccc5I)[C@@H]4C)c4cc(O)c5c(C)c(cc1[nH]2)nc45)c(C)c3C=C
Show InChI InChI=1S/C53H52IN7O3/c1-9-33-28(3)40-25-42-30(5)35(50(57-42)38-24-47(62)49-31(6)43(58-52(38)49)27-45-34(10-2)29(4)41(56-45)26-44(33)55-40)19-20-48(63)60(7)21-22-61(8)53(64)46-23-32-15-11-12-16-36(32)51(59-46)37-17-13-14-18-39(37)54/h9,11-18,23-27,30,35,55-56,62H,1,10,19-22H2,2-8H3/b40-25-,41-26-,42-25-,43-27-,44-26-,45-27-,50-38-/t30-,35-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from PBR after 1 hr by scintillation counting


ACS Med Chem Lett 2: 136-141 (2011)


Article DOI: 10.1021/ml100211g
BindingDB Entry DOI: 10.7270/Q2F76DJG
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50105061
PNG
(4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidin...)
Show SMILES Clc1cc2OCOc2cc1COC(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C21H20ClN3O5/c22-15-10-19-18(29-12-30-19)9-13(15)11-28-21(27)24-7-5-14(6-8-24)25-17-4-2-1-3-16(17)23-20(25)26/h1-4,9-10,14H,5-8,11-12H2,(H,23,26)
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n/an/a 1.04E+3n/an/an/an/an/an/a



Universities of Lille

Curated by ChEMBL


Assay Description
Binding affinity for peripheral benzodiazepine receptor


J Med Chem 44: 3391-401 (2001)


Article DOI: 10.1021/jm010878g
BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50408037
PNG
(CHEMBL149268)
Show SMILES C[C@H]1N=C(c2ccccc2Cl)c2cc(ccc2NC1=O)[N+]([O-])=O
Show InChI InChI=1S/C16H12ClN3O3/c1-9-16(21)19-14-7-6-10(20(22)23)8-12(14)15(18-9)11-4-2-3-5-13(11)17/h2-9H,1H3,(H,19,21)/t9-/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Benzodiazepine receptor in a competition assay


J Med Chem 39: 5246-56 (1997)


Article DOI: 10.1021/jm960536o
BindingDB Entry DOI: 10.7270/Q2NG4RTQ
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50408035
PNG
(CHEMBL87369 | Ro-05-4435)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3F)c2c1
Show InChI InChI=1S/C15H10FN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Benzodiazepine receptor in a competition assay


J Med Chem 39: 5246-56 (1997)


Article DOI: 10.1021/jm960536o
BindingDB Entry DOI: 10.7270/Q2NG4RTQ
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50408011
PNG
(CHEMBL151574 | Ro-07-3953)
Show SMILES Fc1cccc(F)c1C1=NCC(=O)Nc2ccc(Cl)cc12
Show InChI InChI=1S/C15H9ClF2N2O/c16-8-4-5-12-9(6-8)15(19-7-13(21)20-12)14-10(17)2-1-3-11(14)18/h1-6H,7H2,(H,20,21)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Benzodiazepine receptor in a competition assay


J Med Chem 39: 5246-56 (1997)


Article DOI: 10.1021/jm960536o
BindingDB Entry DOI: 10.7270/Q2NG4RTQ
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50019213
PNG
(1,3-dihydro-7-nitro-5-(2-chlorophenyl)-2H-1,4.benz...)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1
Show InChI InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Benzodiazepine receptor in a competition assay


J Med Chem 39: 5246-56 (1997)


Article DOI: 10.1021/jm960536o
BindingDB Entry DOI: 10.7270/Q2NG4RTQ
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50026858
PNG
(7-Chloro-5-(2-chloro-phenyl)-1,3-dihydro-benzo[e][...)
Show SMILES Clc1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1
Show InChI InChI=1S/C15H10Cl2N2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Benzodiazepine receptor in a competition assay


J Med Chem 39: 5246-56 (1997)


Article DOI: 10.1021/jm960536o
BindingDB Entry DOI: 10.7270/Q2NG4RTQ
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50231767
PNG
(5-(4-cyanophenyl)-N-(3-methylphenyl)furan-2-carbox...)
Show SMILES Cc1cccc(NC(=O)c2ccc(o2)-c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C19H14N2O2/c1-13-3-2-4-16(11-13)21-19(22)18-10-9-17(23-18)15-7-5-14(12-20)6-8-15/h2-11H,1H3,(H,21,22)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to peripheral benzodiazepine receptor


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50408014
PNG
(CHEMBL974 | N-Desalkyl-2-Oxoquazepam | Ro-05-3367)
Show SMILES Fc1ccccc1C1=NCC(=O)Nc2ccc(Cl)cc12
Show InChI InChI=1S/C15H10ClFN2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Benzodiazepine receptor in a competition assay


J Med Chem 39: 5246-56 (1997)


Article DOI: 10.1021/jm960536o
BindingDB Entry DOI: 10.7270/Q2NG4RTQ
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50012190
PNG
(CHEMBL2442625)
Show SMILES COc1cccc(NCC(F)Cn2c3ccc(Br)cc3c3cc(Br)ccc23)c1
Show InChI InChI=1S/C22H19Br2FN2O/c1-28-18-4-2-3-17(11-18)26-12-16(25)13-27-21-7-5-14(23)9-19(21)20-10-15(24)6-8-22(20)27/h2-11,16,26H,12-13H2,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of TSPO (unknown origin)


J Med Chem 57: 3746-54 (2014)


Article DOI: 10.1021/jm401919s
BindingDB Entry DOI: 10.7270/Q2J38V3B
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50212239
PNG
(5-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)furan-2-...)
Show SMILES COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1
Show InChI InChI=1S/C19H16ClNO4/c1-23-15-9-14(10-16(11-15)24-2)21-19(22)18-8-7-17(25-18)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,21,22)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to peripheral benzodiazepine receptor


J Med Chem 51: 407-16 (2008)


Article DOI: 10.1021/jm070637u
BindingDB Entry DOI: 10.7270/Q2KK9CN7
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50408040
PNG
(RO-054082 | Ro-05-4082)
Show SMILES CN1c2ccc(cc2C(=NCC1=O)c1ccccc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C16H12ClN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Benzodiazepine receptor in a competition assay


J Med Chem 39: 5246-56 (1997)


Article DOI: 10.1021/jm960536o
BindingDB Entry DOI: 10.7270/Q2NG4RTQ
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50378903
PNG
(CHEMBL1672412)
Show SMILES CCc1c(C)c2cc3[nH]c(cc4nc([C@@H](CCC(=O)NCCNC(=O)c5cc6ccccc6c(n5)-c5ccccc5I)[C@@H]4C)c4cc(O)c5c(C)c(cc1[nH]2)nc45)c(C)c3C=C
Show InChI InChI=1S/C51H48IN7O3/c1-7-31-26(3)38-23-40-28(5)33(17-18-46(61)53-19-20-54-51(62)44-21-30-13-9-10-14-34(30)49(59-44)35-15-11-12-16-37(35)52)48(57-40)36-22-45(60)47-29(6)41(58-50(36)47)25-43-32(8-2)27(4)39(56-43)24-42(31)55-38/h7,9-16,21-25,28,33,55-56,60H,1,8,17-20H2,2-6H3,(H,53,61)(H,54,62)/b38-23-,39-24-,40-23-,41-25-,42-24-,43-25-,48-36-/t28-,33-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from PBR after 1 hr by scintillation counting


ACS Med Chem Lett 2: 136-141 (2011)


Article DOI: 10.1021/ml100211g
BindingDB Entry DOI: 10.7270/Q2F76DJG
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50408019
PNG
(CHEMBL356900 | Ro-13-3780)
Show SMILES CN1c2ccc(Br)cc2C(=NCC1=O)c1c(F)cccc1F
Show InChI InChI=1S/C16H11BrF2N2O/c1-21-13-6-5-9(17)7-10(13)16(20-8-14(21)22)15-11(18)3-2-4-12(15)19/h2-7H,8H2,1H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Benzodiazepine receptor in a competition assay


J Med Chem 39: 5246-56 (1997)


Article DOI: 10.1021/jm960536o
BindingDB Entry DOI: 10.7270/Q2NG4RTQ
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50408017
PNG
(CHEMBL358426 | Ro-07-9957)
Show SMILES CN1c2ccc(I)cc2C(=NCC1=O)c1ccccc1F
Show InChI InChI=1S/C16H12FIN2O/c1-20-14-7-6-10(18)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3
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n/an/a 2.90E+3n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Benzodiazepine receptor in a competition assay


J Med Chem 39: 5246-56 (1997)


Article DOI: 10.1021/jm960536o
BindingDB Entry DOI: 10.7270/Q2NG4RTQ
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50408006
PNG
(CHEMBL148526 | Ro-07-5193)
Show SMILES Fc1cccc(Cl)c1C1=NCC(=O)Nc2ccc(Cl)cc12
Show InChI InChI=1S/C15H9Cl2FN2O/c16-8-4-5-12-9(6-8)15(19-7-13(21)20-12)14-10(17)2-1-3-11(14)18/h1-6H,7H2,(H,20,21)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Benzodiazepine receptor in a competition assay


J Med Chem 39: 5246-56 (1997)


Article DOI: 10.1021/jm960536o
BindingDB Entry DOI: 10.7270/Q2NG4RTQ
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50292627
PNG
((RS)-9-chloro-6-(2-chlorophenyl)-4-hydroxy-2,5-dia...)
Show SMILES OC1N=C(c2ccccc2Cl)c2cc(Cl)ccc2NC1=O
Show InChI InChI=1S/C15H10Cl2N2O2/c16-8-5-6-12-10(7-8)13(19-15(21)14(20)18-12)9-3-1-2-4-11(9)17/h1-7,15,21H,(H,18,20)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Benzodiazepine receptor in a competition assay


J Med Chem 39: 5246-56 (1997)


Article DOI: 10.1021/jm960536o
BindingDB Entry DOI: 10.7270/Q2NG4RTQ
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50408027
PNG
(CHEMBL314775 | Ro-05-3590)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)CN=C(c2c1)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C16H10F3N3O3/c17-16(18,19)12-4-2-1-3-10(12)15-11-7-9(22(24)25)5-6-13(11)21-14(23)8-20-15/h1-7H,8H2,(H,21,23)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Benzodiazepine receptor in a competition assay


J Med Chem 39: 5246-56 (1997)


Article DOI: 10.1021/jm960536o
BindingDB Entry DOI: 10.7270/Q2NG4RTQ
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50408012
PNG
(CHEMBL150323)
Show SMILES C[C@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2NC1=O
Show InChI InChI=1S/C16H12ClFN2O/c1-9-16(21)20-14-7-6-10(17)8-12(14)15(19-9)11-4-2-3-5-13(11)18/h2-9H,1H3,(H,20,21)/t9-/m1/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Benzodiazepine receptor in a competition assay


J Med Chem 39: 5246-56 (1997)


Article DOI: 10.1021/jm960536o
BindingDB Entry DOI: 10.7270/Q2NG4RTQ
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50040706
PNG
(7,8-Dichloro-5-(2-fluoro-phenyl)-1,3-dihydro-benzo...)
Show SMILES Fc1ccccc1C1=NCC(=O)Nc2cc(Cl)c(Cl)cc12
Show InChI InChI=1S/C15H9Cl2FN2O/c16-10-5-9-13(6-11(10)17)20-14(21)7-19-15(9)8-3-1-2-4-12(8)18/h1-6H,7H2,(H,20,21)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Benzodiazepine receptor in a competition assay


J Med Chem 39: 5246-56 (1997)


Article DOI: 10.1021/jm960536o
BindingDB Entry DOI: 10.7270/Q2NG4RTQ
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50408010
PNG
(CHEMBL358422 | Ro-05-4608)
Show SMILES CN1c2ccccc2C(=NCC1=O)c1ccccc1Cl
Show InChI InChI=1S/C16H13ClN2O/c1-19-14-9-5-3-7-12(14)16(18-10-15(19)20)11-6-2-4-8-13(11)17/h2-9H,10H2,1H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Benzodiazepine receptor in a competition assay


J Med Chem 39: 5246-56 (1997)


Article DOI: 10.1021/jm960536o
BindingDB Entry DOI: 10.7270/Q2NG4RTQ
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM25878
PNG
(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Show SMILES CN1c2ccc(cc2C(=NCC1=O)c1ccccc1F)[N+]([O-])=O
Show InChI InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Benzodiazepine receptor in a competition assay


J Med Chem 39: 5246-56 (1997)


Article DOI: 10.1021/jm960536o
BindingDB Entry DOI: 10.7270/Q2NG4RTQ
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50408008
PNG
(CHEMBL346673 | Ro-07-4065)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1c(F)cccc1F
Show InChI InChI=1S/C16H11ClF2N2O/c1-21-13-6-5-9(17)7-10(13)16(20-8-14(21)22)15-11(18)3-2-4-12(15)19/h2-7H,8H2,1H3
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n/an/a 4.10E+3n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Benzodiazepine receptor in a competition assay


J Med Chem 39: 5246-56 (1997)


Article DOI: 10.1021/jm960536o
BindingDB Entry DOI: 10.7270/Q2NG4RTQ
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50408015
PNG
(CHEMBL85481 | Ro-05-6822)
Show SMILES CN1c2ccc(F)cc2C(=NCC1=O)c1ccccc1F
Show InChI InChI=1S/C16H12F2N2O/c1-20-14-7-6-10(17)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)18/h2-8H,9H2,1H3
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n/an/a 5.10E+3n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Benzodiazepine receptor in a competition assay


J Med Chem 39: 5246-56 (1997)


Article DOI: 10.1021/jm960536o
BindingDB Entry DOI: 10.7270/Q2NG4RTQ
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50408029
PNG
(CHEMBL341902 | Ro-14-3074)
Show SMILES Fc1ccccc1C1=NCC(=O)Nc2ccc(cc12)N=[N+]=[N-]
Show InChI InChI=1S/C15H10FN5O/c16-12-4-2-1-3-10(12)15-11-7-9(20-21-17)5-6-13(11)19-14(22)8-18-15/h1-7H,8H2,(H,19,22)
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n/an/a 5.30E+3n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Benzodiazepine receptor in a competition assay


J Med Chem 39: 5246-56 (1997)


Article DOI: 10.1021/jm960536o
BindingDB Entry DOI: 10.7270/Q2NG4RTQ
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50408034
PNG
(CHEMBL148490 | Ro-20-7078)
Show SMILES Fc1ccccc1C1=NC(Cl)C(=O)Nc2ccc(Cl)cc12
Show InChI InChI=1S/C15H9Cl2FN2O/c16-8-5-6-12-10(7-8)13(20-14(17)15(21)19-12)9-3-1-2-4-11(9)18/h1-7,14H,(H,19,21)
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n/an/a 5.30E+3n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Benzodiazepine receptor in a competition assay


J Med Chem 39: 5246-56 (1997)


Article DOI: 10.1021/jm960536o
BindingDB Entry DOI: 10.7270/Q2NG4RTQ
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50026859
PNG
(7-Chloro-5-(2,6-dichloro-phenyl)-1-methyl-1,3-dihy...)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C16H11Cl3N2O/c1-21-13-6-5-9(17)7-10(13)16(20-8-14(21)22)15-11(18)3-2-4-12(15)19/h2-7H,8H2,1H3
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n/an/a 5.50E+3n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Benzodiazepine receptor in a competition assay


J Med Chem 39: 5246-56 (1997)


Article DOI: 10.1021/jm960536o
BindingDB Entry DOI: 10.7270/Q2NG4RTQ
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50378904
PNG
(CHEMBL1672411)
Show SMILES CCc1c(C)c2cc3[nH]c(cc4[nH]c(c(CCC(=O)NCCN)c4C)c4cc(O)c5c(C)c(cc1[nH]2)[nH]c45)c(C)c3C=C
Show InChI InChI=1S/C35H40N6O2/c1-7-21-17(3)25-14-27-19(5)23(9-10-32(43)37-12-11-36)34(40-27)24-13-31(42)33-20(6)28(41-35(24)33)16-30-22(8-2)18(4)26(39-30)15-29(21)38-25/h7,13-16,38-42H,1,8-12,36H2,2-6H3,(H,37,43)/b25-14-,26-15-,27-14-,28-16-,29-15-,30-16-,34-24-
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n/an/a 5.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PK11195 from PBR after 1 hr by scintillation counting


ACS Med Chem Lett 2: 136-141 (2011)


Article DOI: 10.1021/ml100211g
BindingDB Entry DOI: 10.7270/Q2F76DJG
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50026855
PNG
(7-Chloro-5-(2,6-dichloro-phenyl)-1,3-dihydro-benzo...)
Show SMILES Clc1ccc2NC(=O)CN=C(c2c1)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C15H9Cl3N2O/c16-8-4-5-12-9(6-8)15(19-7-13(21)20-12)14-10(17)2-1-3-11(14)18/h1-6H,7H2,(H,20,21)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Benzodiazepine receptor in a competition assay


J Med Chem 39: 5246-56 (1997)


Article DOI: 10.1021/jm960536o
BindingDB Entry DOI: 10.7270/Q2NG4RTQ
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50408030
PNG
(CHEMBL345301)
Show SMILES C[C@H]1N=C(c2ccccc2F)c2cc(ccc2N(C)C1=O)[N+]([O-])=O
Show InChI InChI=1S/C17H14FN3O3/c1-10-17(22)20(2)15-8-7-11(21(23)24)9-13(15)16(19-10)12-5-3-4-6-14(12)18/h3-10H,1-2H3/t10-/m1/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Benzodiazepine receptor in a competition assay


J Med Chem 39: 5246-56 (1997)


Article DOI: 10.1021/jm960536o
BindingDB Entry DOI: 10.7270/Q2NG4RTQ
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50408028
PNG
(CHEMBL151984 | Ro-05-6820)
Show SMILES Fc1ccc2NC(=O)CN=C(c3ccccc3F)c2c1
Show InChI InChI=1S/C15H10F2N2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)
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n/an/a 7.40E+3n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Benzodiazepine receptor in a competition assay


J Med Chem 39: 5246-56 (1997)


Article DOI: 10.1021/jm960536o
BindingDB Entry DOI: 10.7270/Q2NG4RTQ
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50000766
PNG
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1
Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
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n/an/a 8.10E+3n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Benzodiazepine receptor in a competition assay


J Med Chem 39: 5246-56 (1997)


Article DOI: 10.1021/jm960536o
BindingDB Entry DOI: 10.7270/Q2NG4RTQ
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50027835
PNG
(7-Chloro-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepi...)
Show SMILES Clc1ccc2NC(=O)CN=C(c3ccccc3)c2c1
Show InChI InChI=1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
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n/an/a 9.40E+3n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Benzodiazepine receptor in a competition assay


J Med Chem 39: 5246-56 (1997)


Article DOI: 10.1021/jm960536o
BindingDB Entry DOI: 10.7270/Q2NG4RTQ
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50020856
PNG
(7-Nitro-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin...)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3)c2c1
Show InChI InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Benzodiazepine receptor in a competition assay


J Med Chem 39: 5246-56 (1997)


Article DOI: 10.1021/jm960536o
BindingDB Entry DOI: 10.7270/Q2NG4RTQ
More data for this
Ligand-Target Pair
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