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Compile Data Set for Download or QSAR

Found 13 hits of kd data for polymerid = 2236   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peripheral-Type Benzodiazepine Receptor


(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/an/a 0.600n/an/an/an/an/a



Brain and Mind Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PK11195 from TSPO in rat cortex


J Med Chem 52: 581-92 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM22040
PNG
(4 -chlorodiazepam | 4' Cl-diazepam | 7-chloro-...)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3
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n/an/an/a 1.10n/an/an/an/an/a



Brain and Mind Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro5-4864 from TSPO in rat kainate lesioned striatum


J Med Chem 52: 581-92 (2009)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(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/an/a 2n/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity constant for peripheral (mitochondrial) Benzodiazepine receptor


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peripheral-Type Benzodiazepine Receptor


(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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n/an/an/a 3n/an/an/an/an/a



Brain and Mind Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SSR180575 from TSPO in rat cortex


J Med Chem 52: 581-92 (2009)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50316600
PNG
(CHEMBL1097176 | N,N-Dipropyl-[5-isothiocyanato-2-p...)
Show SMILES CCCN(CCC)C(=O)C(=O)c1c([nH]c2ccc(cc12)N=C=S)-c1ccccc1
Show InChI InChI=1S/C23H23N3O2S/c1-3-12-26(13-4-2)23(28)22(27)20-18-14-17(24-15-29)10-11-19(18)25-21(20)16-8-6-5-7-9-16/h5-11,14,25H,3-4,12-13H2,1-2H3
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n/an/an/a 3.17n/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Irreversible binding affinity to TSPO in rat kidney mitochondrial membrane


J Med Chem 53: 4085-93 (2010)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM22040
PNG
(4 -chlorodiazepam | 4' Cl-diazepam | 7-chloro-...)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3
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n/an/an/a 3.5n/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity constant for Benzodiazepine receptor in rat RG-2 glioma cells


J Med Chem 40: 1726-30 (1997)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50316601
PNG
(CHEMBL1097503 | N,N-Dihexyl-[5-isothiocyanato-2-ph...)
Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccc(cc12)N=C=S)-c1ccccc1
Show InChI InChI=1S/C29H35N3O2S/c1-3-5-7-12-18-32(19-13-8-6-4-2)29(34)28(33)26-24-20-23(30-21-35)16-17-25(24)31-27(26)22-14-10-9-11-15-22/h9-11,14-17,20,31H,3-8,12-13,18-19H2,1-2H3
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n/an/an/a 5.07n/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Irreversible binding affinity to TSPO in rat kidney mitochondrial membrane


J Med Chem 53: 4085-93 (2010)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50316602
PNG
(CHEMBL1099012 | N-(5-Isothiocyanato-2-phenylindol-...)
Show SMILES [O-][N+](=O)c1ccc(NCCCCCCNC(=O)C(=O)c2c([nH]c3ccc(cc23)N=C=S)-c2ccccc2)c2nonc12
Show InChI InChI=1S/C29H25N7O5S/c37-28(24-20-16-19(32-17-42)10-11-21(20)33-25(24)18-8-4-3-5-9-18)29(38)31-15-7-2-1-6-14-30-22-12-13-23(36(39)40)27-26(22)34-41-35-27/h3-5,8-13,16,30,33H,1-2,6-7,14-15H2,(H,31,38)
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n/an/an/a 8.31n/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Irreversible binding affinity to TSPO in rat kidney mitochondrial membrane


J Med Chem 53: 4085-93 (2010)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50021058
PNG
(7-Chloro-1-methyl-5-phenyl-2,3-dihydro-1H-benzo[e]...)
Show SMILES CN1CCN=C(c2ccccc2)c2cc(Cl)ccc12
Show InChI InChI=1S/C16H15ClN2/c1-19-10-9-18-16(12-5-3-2-4-6-12)14-11-13(17)7-8-15(14)19/h2-8,11H,9-10H2,1H3
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n/an/an/a>10n/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity constant for peripheral (mitochondrial) Benzodiazepine receptor


Citation and Details
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM22040
PNG
(4 -chlorodiazepam | 4' Cl-diazepam | 7-chloro-...)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3
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n/an/an/a 58n/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity constant for peripheral (mitochondrial) Benzodiazepine receptor


Citation and Details
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
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/an/a 213n/an/an/an/an/a



Universit£ di Ferrara

Curated by ChEMBL


Assay Description
Binding affinity constant for peripheral (mitochondrial) Benzodiazepine receptor


Citation and Details
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM22040
PNG
(4 -chlorodiazepam | 4' Cl-diazepam | 7-chloro-...)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3
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n/an/an/a 1.30E+3n/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity constant for Benzodiazepine receptor in normal rat brain homogenate


J Med Chem 40: 1726-30 (1997)

More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM22040
PNG
(4 -chlorodiazepam | 4' Cl-diazepam | 7-chloro-...)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3
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n/an/an/a 4.00E+3n/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity constant for Benzodiazepine receptor in rat C6 glioma cells


J Med Chem 40: 1726-30 (1997)

More data for this
Ligand-Target Pair