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Compile Data Set for Download or QSAR

Found 29 hits Enz. Inhib. hit(s) with all data for entry = 50036433   
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))
BDBM50052309
PNG
(Acetic acid (4R,5R)-7-chloro-1-dimethylaminomethyl...)
Show SMILES COc1ccc(cc1)[C@H]1Sc2c(Cl)cccc2-n2c(CN(C)C)ccc2[C@H]1OC(C)=O
Show InChI InChI=1S/C24H25ClN2O3S/c1-15(28)30-22-20-13-10-17(14-26(2)3)27(20)21-7-5-6-19(25)24(21)31-23(22)16-8-11-18(29-4)12-9-16/h5-13,22-23H,14H2,1-4H3/t22-,23-/m1/s1
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10n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PK 11195 binding to peripheral-type benzodiazepine receptor(PBR) in rat cerebral cortex homogenate


J Med Chem 39: 2922-38 (1996)


Article DOI: 10.1021/jm960162z
BindingDB Entry DOI: 10.7270/Q2HH6KQ5
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50052310
PNG
(Acetic acid (4R,5R)-1-dimethylaminomethyl-5-(4-met...)
Show SMILES COc1ccc(cc1)[C@H]1Sc2ccccc2-n2c(CN(C)C)ccc2[C@H]1OC(C)=O
Show InChI InChI=1S/C24H26N2O3S/c1-16(27)29-23-21-14-11-18(15-25(2)3)26(21)20-7-5-6-8-22(20)30-24(23)17-9-12-19(28-4)13-10-17/h5-14,23-24H,15H2,1-4H3/t23-,24-/m1/s1
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63n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PK 11195 binding to peripheral-type benzodiazepine receptor(PBR) in rat cerebral cortex homogenate


J Med Chem 39: 2922-38 (1996)


Article DOI: 10.1021/jm960162z
BindingDB Entry DOI: 10.7270/Q2HH6KQ5
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50052314
PNG
(Acetic acid (4R,5R)-9-chloro-1-dimethylaminomethyl...)
Show SMILES CN(C)Cc1ccc2[C@@H](OC(C)=O)[C@H](Sc3ccc(Cl)cc3-n12)c1ccccc1
Show InChI InChI=1S/C23H23ClN2O2S/c1-15(27)28-22-19-11-10-18(14-25(2)3)26(19)20-13-17(24)9-12-21(20)29-23(22)16-7-5-4-6-8-16/h4-13,22-23H,14H2,1-3H3/t22-,23-/m1/s1
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569n/an/an/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PK 11195 binding to peripheral-type benzodiazepine receptor(PBR) in rat cerebral cortex homogenate


J Med Chem 39: 2922-38 (1996)


Article DOI: 10.1021/jm960162z
BindingDB Entry DOI: 10.7270/Q2HH6KQ5
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM81939
PNG
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)
Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3
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n/an/a 1.40n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-PK 11195 binding to peripheral-type benzodiazepine receptor(PBR) in rat cerebral cortex homogenate.


J Med Chem 39: 2922-38 (1996)


Article DOI: 10.1021/jm960162z
BindingDB Entry DOI: 10.7270/Q2HH6KQ5
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
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 2n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-PK 11195 binding to peripheral-type benzodiazepine receptor(PBR) in rat cerebral cortex homogenate.


J Med Chem 39: 2922-38 (1996)


Article DOI: 10.1021/jm960162z
BindingDB Entry DOI: 10.7270/Q2HH6KQ5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Translocator protein


(Rattus norvegicus (rat))
BDBM50041505
PNG
(CHEMBL33096 | Dimethyl-carbamic acid 5-(4-methoxy-...)
Show SMILES COc1ccc(cc1)C1=C(OC(=O)N(C)C)c2cccn2-c2ccccc2S1 |c:9|
Show InChI InChI=1S/C22H20N2O3S/c1-23(2)22(25)27-20-18-8-6-14-24(18)17-7-4-5-9-19(17)28-21(20)15-10-12-16(26-3)13-11-15/h4-14H,1-3H3
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n/an/a 9n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-PK 11195 binding to peripheral-type benzodiazepine receptor(PBR) in rat cerebral cortex homogenate.


J Med Chem 39: 2922-38 (1996)


Article DOI: 10.1021/jm960162z
BindingDB Entry DOI: 10.7270/Q2HH6KQ5
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(RAT)
BDBM50052311
PNG
(Acetic acid (4R,5R)-7-chloro-1-dimethylaminomethyl...)
Show SMILES CN(C)Cc1ccc2[C@@H](OC(C)=O)[C@H](Sc3c(Cl)cccc3-n12)c1ccccc1
Show InChI InChI=1S/C23H23ClN2O2S/c1-15(27)28-21-19-13-12-17(14-25(2)3)26(19)20-11-7-10-18(24)23(20)29-22(21)16-8-5-4-6-9-16/h4-13,21-22H,14H2,1-3H3/t21-,22-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]nitrendipine binding to the L-type calcium channel receptor(CCR) in rat heart homogenate.


J Med Chem 39: 2922-38 (1996)


Article DOI: 10.1021/jm960162z
BindingDB Entry DOI: 10.7270/Q2HH6KQ5
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(RAT)
BDBM50029417
PNG
(CHEMBL277363 | [4-(4-Methoxy-phenyl)-4H-benzo[b]py...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2-n2c(CN(C)C)ccc12
Show InChI InChI=1S/C21H22N2OS/c1-22(2)14-16-10-13-19-21(15-8-11-17(24-3)12-9-15)25-20-7-5-4-6-18(20)23(16)19/h4-13,21H,14H2,1-3H3
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n/an/a 17n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]nitrendipine binding to the L-type calcium channel receptor(CCR) in rat heart homogenate


J Med Chem 39: 2922-38 (1996)


Article DOI: 10.1021/jm960162z
BindingDB Entry DOI: 10.7270/Q2HH6KQ5
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50041506
PNG
(Acetic acid 7-chloro-5-(4-methoxy-phenyl)-6-thia-1...)
Show SMILES COc1ccc(cc1)C1=C(OC(C)=O)c2cccn2-c2cccc(Cl)c2S1 |c:9|
Show InChI InChI=1S/C21H16ClNO3S/c1-13(24)26-19-17-7-4-12-23(17)18-6-3-5-16(22)21(18)27-20(19)14-8-10-15(25-2)11-9-14/h3-12H,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-PK 11195 binding to peripheral-type benzodiazepine receptor(PBR) in rat cerebral cortex homogenate.


J Med Chem 39: 2922-38 (1996)


Article DOI: 10.1021/jm960162z
BindingDB Entry DOI: 10.7270/Q2HH6KQ5
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50041493
PNG
(Acetic acid 5-phenyl-6-thia-10b-aza-benzo[e]azulen...)
Show SMILES CC(=O)OC1=C(Sc2ccccc2-n2cccc12)c1ccccc1 |t:4|
Show InChI InChI=1S/C20H15NO2S/c1-14(22)23-19-17-11-7-13-21(17)16-10-5-6-12-18(16)24-20(19)15-8-3-2-4-9-15/h2-13H,1H3
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n/an/a 20n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-PK 11195 binding to peripheral-type benzodiazepine receptor(PBR) in rat cerebral cortex homogenate.


J Med Chem 39: 2922-38 (1996)


Article DOI: 10.1021/jm960162z
BindingDB Entry DOI: 10.7270/Q2HH6KQ5
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50041504
PNG
(Butyric acid 5-phenyl-6-thia-10b-aza-benzo[e]azule...)
Show SMILES CCCC(=O)OC1=C(Sc2ccccc2-n2cccc12)c1ccccc1 |t:6|
Show InChI InChI=1S/C22H19NO2S/c1-2-9-20(24)25-21-18-13-8-15-23(18)17-12-6-7-14-19(17)26-22(21)16-10-4-3-5-11-16/h3-8,10-15H,2,9H2,1H3
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n/an/a 22n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-PK 11195 binding to peripheral-type benzodiazepine receptor(PBR) in rat cerebral cortex homogenate.


J Med Chem 39: 2922-38 (1996)


Article DOI: 10.1021/jm960162z
BindingDB Entry DOI: 10.7270/Q2HH6KQ5
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50041513
PNG
(CHEMBL416214 | Hexanoic acid 5-phenyl-6-thia-10b-a...)
Show SMILES CCCCCC(=O)OC1=C(Sc2ccccc2-n2cccc12)c1ccccc1 |t:8|
Show InChI InChI=1S/C24H23NO2S/c1-2-3-5-16-22(26)27-23-20-14-10-17-25(20)19-13-8-9-15-21(19)28-24(23)18-11-6-4-7-12-18/h4,6-15,17H,2-3,5,16H2,1H3
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n/an/a 23n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-PK 11195 binding to peripheral-type benzodiazepine receptor(PBR) in rat cerebral cortex homogenate.


J Med Chem 39: 2922-38 (1996)


Article DOI: 10.1021/jm960162z
BindingDB Entry DOI: 10.7270/Q2HH6KQ5
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50041496
PNG
(Butyric acid 5-(4-methoxy-phenyl)-6-thia-10b-aza-b...)
Show SMILES CCCC(=O)OC1=C(Sc2ccccc2-n2cccc12)c1ccc(OC)cc1 |t:6|
Show InChI InChI=1S/C23H21NO3S/c1-3-7-21(25)27-22-19-9-6-15-24(19)18-8-4-5-10-20(18)28-23(22)16-11-13-17(26-2)14-12-16/h4-6,8-15H,3,7H2,1-2H3
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n/an/a 28n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-PK 11195 binding to peripheral-type benzodiazepine receptor(PBR) in rat cerebral cortex homogenate.


J Med Chem 39: 2922-38 (1996)


Article DOI: 10.1021/jm960162z
BindingDB Entry DOI: 10.7270/Q2HH6KQ5
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50041502
PNG
(Acetic acid 5-(4-methoxy-phenyl)-6-thia-10b-aza-be...)
Show SMILES COc1ccc(cc1)C1=C(OC(C)=O)c2cccn2-c2ccccc2S1 |c:9|
Show InChI InChI=1S/C21H17NO3S/c1-14(23)25-20-18-7-5-13-22(18)17-6-3-4-8-19(17)26-21(20)15-9-11-16(24-2)12-10-15/h3-13H,1-2H3
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n/an/a 34n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-PK 11195 binding to peripheral-type benzodiazepine receptor(PBR) in rat cerebral cortex homogenate.


J Med Chem 39: 2922-38 (1996)


Article DOI: 10.1021/jm960162z
BindingDB Entry DOI: 10.7270/Q2HH6KQ5
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(RAT)
BDBM81939
PNG
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)
Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3
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n/an/a 39n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]nitrendipine binding to the L-type calcium channel receptor(CCR) in rat heart homogenate.


J Med Chem 39: 2922-38 (1996)


Article DOI: 10.1021/jm960162z
BindingDB Entry DOI: 10.7270/Q2HH6KQ5
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50041508
PNG
(CHEMBL416040 | Pentanoic acid 5-phenyl-6-thia-10b-...)
Show SMILES CCCCC(=O)OC1=C(Sc2ccccc2-n2cccc12)c1ccccc1 |t:7|
Show InChI InChI=1S/C23H21NO2S/c1-2-3-15-21(25)26-22-19-13-9-16-24(19)18-12-7-8-14-20(18)27-23(22)17-10-5-4-6-11-17/h4-14,16H,2-3,15H2,1H3
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n/an/a 48n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-PK 11195 binding to peripheral-type benzodiazepine receptor(PBR) in rat cerebral cortex homogenate.


J Med Chem 39: 2922-38 (1996)


Article DOI: 10.1021/jm960162z
BindingDB Entry DOI: 10.7270/Q2HH6KQ5
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(RAT)
BDBM50004704
PNG
((+)-cis-Diltiazem | (2S,3S)-5-(2-(dimethylamino)et...)
Show SMILES COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1
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n/an/a 54n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]nitrendipine binding to the L-type calcium channel receptor(CCR) in rat heart homogenate.


J Med Chem 39: 2922-38 (1996)


Article DOI: 10.1021/jm960162z
BindingDB Entry DOI: 10.7270/Q2HH6KQ5
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50052317
PNG
(Acetic acid (4R,5R)-1-dimethylaminomethyl-5-phenyl...)
Show SMILES CN(C)Cc1ccc2[C@@H](OC(C)=O)[C@H](Sc3ccc(cc3-n12)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C24H23F3N2O2S/c1-15(30)31-22-19-11-10-18(14-28(2)3)29(19)20-13-17(24(25,26)27)9-12-21(20)32-23(22)16-7-5-4-6-8-16/h4-13,22-23H,14H2,1-3H3/t22-,23-/m1/s1
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n/an/a 139n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-PK 11195 binding to peripheral-type benzodiazepine receptor(PBR) in rat cerebral cortex homogenate.


J Med Chem 39: 2922-38 (1996)


Article DOI: 10.1021/jm960162z
BindingDB Entry DOI: 10.7270/Q2HH6KQ5
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50041485
PNG
(Acetic acid 9-chloro-5-phenyl-6-thia-10b-aza-benzo...)
Show SMILES CC(=O)OC1=C(Sc2ccc(Cl)cc2-n2cccc12)c1ccccc1 |t:4|
Show InChI InChI=1S/C20H14ClNO2S/c1-13(23)24-19-16-8-5-11-22(16)17-12-15(21)9-10-18(17)25-20(19)14-6-3-2-4-7-14/h2-12H,1H3
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n/an/a 150n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-PK 11195 binding to peripheral-type benzodiazepine receptor(PBR) in rat cerebral cortex homogenate.


J Med Chem 39: 2922-38 (1996)


Article DOI: 10.1021/jm960162z
BindingDB Entry DOI: 10.7270/Q2HH6KQ5
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(RAT)
BDBM50041496
PNG
(Butyric acid 5-(4-methoxy-phenyl)-6-thia-10b-aza-b...)
Show SMILES CCCC(=O)OC1=C(Sc2ccccc2-n2cccc12)c1ccc(OC)cc1 |t:6|
Show InChI InChI=1S/C23H21NO3S/c1-3-7-21(25)27-22-19-9-6-15-24(19)18-8-4-5-10-20(18)28-23(22)16-11-13-17(26-2)14-12-16/h4-6,8-15H,3,7H2,1-2H3
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n/an/a 150n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]nitrendipine binding to the L-type calcium channel receptor(CCR) in rat heart homogenate.


J Med Chem 39: 2922-38 (1996)


Article DOI: 10.1021/jm960162z
BindingDB Entry DOI: 10.7270/Q2HH6KQ5
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(RAT)
BDBM50041493
PNG
(Acetic acid 5-phenyl-6-thia-10b-aza-benzo[e]azulen...)
Show SMILES CC(=O)OC1=C(Sc2ccccc2-n2cccc12)c1ccccc1 |t:4|
Show InChI InChI=1S/C20H15NO2S/c1-14(22)23-19-17-11-7-13-21(17)16-10-5-6-12-18(16)24-20(19)15-8-3-2-4-9-15/h2-13H,1H3
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n/an/a 220n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]nitrendipine binding to the L-type calcium channel receptor(CCR) in rat heart homogenate.


J Med Chem 39: 2922-38 (1996)


Article DOI: 10.1021/jm960162z
BindingDB Entry DOI: 10.7270/Q2HH6KQ5
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(RAT)
BDBM50041502
PNG
(Acetic acid 5-(4-methoxy-phenyl)-6-thia-10b-aza-be...)
Show SMILES COc1ccc(cc1)C1=C(OC(C)=O)c2cccn2-c2ccccc2S1 |c:9|
Show InChI InChI=1S/C21H17NO3S/c1-14(23)25-20-18-7-5-13-22(18)17-6-3-4-8-19(17)26-21(20)15-9-11-16(24-2)12-10-15/h3-13H,1-2H3
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n/an/a 340n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]nitrendipine binding to the L-type calcium channel receptor(CCR) in rat heart homogenate.


J Med Chem 39: 2922-38 (1996)


Article DOI: 10.1021/jm960162z
BindingDB Entry DOI: 10.7270/Q2HH6KQ5
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(RAT)
BDBM50041508
PNG
(CHEMBL416040 | Pentanoic acid 5-phenyl-6-thia-10b-...)
Show SMILES CCCCC(=O)OC1=C(Sc2ccccc2-n2cccc12)c1ccccc1 |t:7|
Show InChI InChI=1S/C23H21NO2S/c1-2-3-15-21(25)26-22-19-13-9-16-24(19)18-12-7-8-14-20(18)27-23(22)17-10-5-4-6-11-17/h4-14,16H,2-3,15H2,1H3
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n/an/a 610n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]nitrendipine binding to the L-type calcium channel receptor(CCR) in rat heart homogenate.


J Med Chem 39: 2922-38 (1996)


Article DOI: 10.1021/jm960162z
BindingDB Entry DOI: 10.7270/Q2HH6KQ5
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50041490
PNG
(Acetic acid 9-chloro-5-(4-methoxy-phenyl)-6-thia-1...)
Show SMILES COc1ccc(cc1)C1=C(OC(C)=O)c2cccn2-c2cc(Cl)ccc2S1 |c:9|
Show InChI InChI=1S/C21H16ClNO3S/c1-13(24)26-20-17-4-3-11-23(17)18-12-15(22)7-10-19(18)27-21(20)14-5-8-16(25-2)9-6-14/h3-12H,1-2H3
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n/an/a 651n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-PK 11195 binding to peripheral-type benzodiazepine receptor(PBR) in rat cerebral cortex homogenate.


J Med Chem 39: 2922-38 (1996)


Article DOI: 10.1021/jm960162z
BindingDB Entry DOI: 10.7270/Q2HH6KQ5
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50029417
PNG
(CHEMBL277363 | [4-(4-Methoxy-phenyl)-4H-benzo[b]py...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2-n2c(CN(C)C)ccc12
Show InChI InChI=1S/C21H22N2OS/c1-22(2)14-16-10-13-19-21(15-8-11-17(24-3)12-9-15)25-20-7-5-4-6-18(20)23(16)19/h4-13,21H,14H2,1-3H3
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n/an/a>2.00E+3n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-PK 11195 binding to peripheral-type benzodiazepine receptor(PBR) in rat cerebral cortex homogenate.


J Med Chem 39: 2922-38 (1996)


Article DOI: 10.1021/jm960162z
BindingDB Entry DOI: 10.7270/Q2HH6KQ5
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50052315
PNG
(Acetic acid 9-chloro-1-dimethylaminomethyl-5-(4-me...)
Show SMILES COc1ccc(cc1)C1=C(OC(C)=O)c2ccc(CN(C)C)n2-c2cc(Cl)ccc2S1 |c:9|
Show InChI InChI=1S/C24H23ClN2O3S/c1-15(28)30-23-20-11-8-18(14-26(2)3)27(20)21-13-17(25)7-12-22(21)31-24(23)16-5-9-19(29-4)10-6-16/h5-13H,14H2,1-4H3
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n/an/a>2.00E+3n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-PK 11195 binding to peripheral-type benzodiazepine receptor(PBR) in rat cerebral cortex homogenate.


J Med Chem 39: 2922-38 (1996)


Article DOI: 10.1021/jm960162z
BindingDB Entry DOI: 10.7270/Q2HH6KQ5
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50052316
PNG
(Acetic acid 9-chloro-1-dimethylaminomethyl-5-pheny...)
Show SMILES CN(C)Cc1ccc2C(OC(C)=O)=C(Sc3ccc(Cl)cc3-n12)c1ccccc1 |c:12|
Show InChI InChI=1S/C23H21ClN2O2S/c1-15(27)28-22-19-11-10-18(14-25(2)3)26(19)20-13-17(24)9-12-21(20)29-23(22)16-7-5-4-6-8-16/h4-13H,14H2,1-3H3
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Universit£ di Siena

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-PK 11195 binding to peripheral-type benzodiazepine receptor(PBR) in rat cerebral cortex homogenate.


J Med Chem 39: 2922-38 (1996)


Article DOI: 10.1021/jm960162z
BindingDB Entry DOI: 10.7270/Q2HH6KQ5
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50052318
PNG
(Acetic acid 1-dimethylaminomethyl-5-phenyl-6-thia-...)
Show SMILES CN(C)Cc1ccc2C(OC(C)=O)=C(Sc3ccccc3-n12)c1ccccc1 |c:12|
Show InChI InChI=1S/C23H22N2O2S/c1-16(26)27-22-20-14-13-18(15-24(2)3)25(20)19-11-7-8-12-21(19)28-23(22)17-9-5-4-6-10-17/h4-14H,15H2,1-3H3
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Universit£ di Siena

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-PK 11195 binding to peripheral-type benzodiazepine receptor(PBR) in rat cerebral cortex homogenate.


J Med Chem 39: 2922-38 (1996)


Article DOI: 10.1021/jm960162z
BindingDB Entry DOI: 10.7270/Q2HH6KQ5
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50052312
PNG
(Acetic acid (4R,5R)-1-dimethylaminomethyl-5-phenyl...)
Show SMILES CN(C)Cc1ccc2[C@@H](OC(C)=O)[C@H](Sc3ccccc3-n12)c1ccccc1
Show InChI InChI=1S/C23H24N2O2S/c1-16(26)27-22-20-14-13-18(15-24(2)3)25(20)19-11-7-8-12-21(19)28-23(22)17-9-5-4-6-10-17/h4-14,22-23H,15H2,1-3H3/t22-,23-/m1/s1
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n/an/a 2.41E+3n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]-PK 11195 binding to peripheral-type benzodiazepine receptor(PBR) in rat cerebral cortex homogenate.


J Med Chem 39: 2922-38 (1996)


Article DOI: 10.1021/jm960162z
BindingDB Entry DOI: 10.7270/Q2HH6KQ5
More data for this
Ligand-Target Pair