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Compile Data Set for Download or QSAR

Found 831 hits with Last Name = 'owen' and Initial = 'dr'   
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
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50335260
PNG
(CHEMBL1651226 | N,N-dihexyl-2-(1-methyl-2-phenyl-1...)
Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccccc2)n(C)c2ccccc12
Show InChI InChI=1S/C29H38N2O2/c1-4-6-8-15-21-31(22-16-9-7-5-2)29(33)28(32)26-24-19-13-14-20-25(24)30(3)27(26)23-17-11-10-12-18-23/h10-14,17-20H,4-9,15-16,21-22H2,1-3H3
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0.299n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [11C]PK11195 from TSPO in rat kidney mitochondrial membrane


J Med Chem 54: 366-73 (2011)


Article DOI: 10.1021/jm101230g
BindingDB Entry DOI: 10.7270/Q2ZC83T4
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50335259
PNG
(CHEMBL1651225 | N,N-dibutyl-2-(1-methyl-2-phenyl-1...)
Show SMILES CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccccc2)n(C)c2ccccc12
Show InChI InChI=1S/C25H30N2O2/c1-4-6-17-27(18-7-5-2)25(29)24(28)22-20-15-11-12-16-21(20)26(3)23(22)19-13-9-8-10-14-19/h8-16H,4-7,17-18H2,1-3H3
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0.300n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [11C]PK11195 from TSPO in rat kidney mitochondrial membrane


J Med Chem 54: 366-73 (2011)


Article DOI: 10.1021/jm101230g
BindingDB Entry DOI: 10.7270/Q2ZC83T4
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM22038
PNG
(2-[2-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dihexyl-2...)
Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C28H35FN2O2/c1-3-5-7-11-19-31(20-12-8-6-4-2)28(33)27(32)25-23-13-9-10-14-24(23)30-26(25)21-15-17-22(29)18-16-21/h9-10,13-18,30H,3-8,11-12,19-20H2,1-2H3
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0.370n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [11C]PBR28 from TSPO in rat kidney mitochondrial membrane


J Med Chem 54: 366-73 (2011)


Article DOI: 10.1021/jm101230g
BindingDB Entry DOI: 10.7270/Q2ZC83T4
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Sus scrofa)
BDBM50201438
PNG
((+/-)-5-guanidino-2-(mercaptomethyl)pentanoic acid...)
Show SMILES NC(N)=NCCCC(CS)C(O)=O
Show InChI InChI=1S/C7H15N3O2S/c8-7(9)10-3-1-2-5(4-13)6(11)12/h5,13H,1-4H2,(H,11,12)(H4,8,9,10)
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0.420n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic carboxypeptidase B


J Med Chem 50: 6095-103 (2007)


Article DOI: 10.1021/jm0702433
BindingDB Entry DOI: 10.7270/Q2T153CG
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50060095
PNG
(2-[6,8-Dichloro-2-(4-chloro-phenyl)-imidazo[1,2-a]...)
Show SMILES CCCN(CCC)C(=O)Cc1c(nc2c(Cl)cc(Cl)cn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H22Cl3N3O/c1-3-9-26(10-4-2)19(28)12-18-20(14-5-7-15(22)8-6-14)25-21-17(24)11-16(23)13-27(18)21/h5-8,11,13H,3-4,9-10,12H2,1-2H3
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0.5n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [11C]PK11195 from TSPO in rat kidney mitochondrial membrane


J Med Chem 54: 366-73 (2011)


Article DOI: 10.1021/jm101230g
BindingDB Entry DOI: 10.7270/Q2ZC83T4
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50335268
PNG
(2-(2-(4-fluorophenyl)-1-methyl-1H-indol-3-yl)-N,N-...)
Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccc(F)cc2)n(C)c2ccccc12
Show InChI InChI=1S/C29H37FN2O2/c1-4-6-8-12-20-32(21-13-9-7-5-2)29(34)28(33)26-24-14-10-11-15-25(24)31(3)27(26)22-16-18-23(30)19-17-22/h10-11,14-19H,4-9,12-13,20-21H2,1-3H3
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1.07n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [11C]PK11195 from TSPO in rat kidney mitochondrial membrane


J Med Chem 54: 366-73 (2011)


Article DOI: 10.1021/jm101230g
BindingDB Entry DOI: 10.7270/Q2ZC83T4
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50143220
PNG
(CHEMBL294625 | N,N-Dihexyl-2-oxo-2-(2-phenyl-1H-in...)
Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C28H36N2O2/c1-3-5-7-14-20-30(21-15-8-6-4-2)28(32)27(31)25-23-18-12-13-19-24(23)29-26(25)22-16-10-9-11-17-22/h9-13,16-19,29H,3-8,14-15,20-21H2,1-2H3
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1.40n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [11C]PBR28 from TSPO in rat kidney mitochondrial membrane


J Med Chem 54: 366-73 (2011)


Article DOI: 10.1021/jm101230g
BindingDB Entry DOI: 10.7270/Q2ZC83T4
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50335270
PNG
(2-(1-methyl-2-(4-nitrophenyl)-1H-indol-3-yl)-2-oxo...)
Show SMILES CCCN(CCC)C(=O)C(=O)c1c(-c2ccc(cc2)[N+]([O-])=O)n(C)c2ccccc12
Show InChI InChI=1S/C23H25N3O4/c1-4-14-25(15-5-2)23(28)22(27)20-18-8-6-7-9-19(18)24(3)21(20)16-10-12-17(13-11-16)26(29)30/h6-13H,4-5,14-15H2,1-3H3
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1.57n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [11C]PK11195 from high affinity binding site of TSPO in human brain membrane homogenate by scintillation counting


J Med Chem 54: 366-73 (2011)


Article DOI: 10.1021/jm101230g
BindingDB Entry DOI: 10.7270/Q2ZC83T4
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50335257
PNG
(CHEMBL1651223 | N-benzyl-2-(2-(4-fluorophenyl)-1H-...)
Show SMILES CN(Cc1ccccc1)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C24H19FN2O2/c1-27(15-16-7-3-2-4-8-16)24(29)23(28)21-19-9-5-6-10-20(19)26-22(21)17-11-13-18(25)14-12-17/h2-14,26H,15H2,1H3
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1.80n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [11C]PK11195 from TSPO in rat kidney mitochondrial membrane


J Med Chem 54: 366-73 (2011)


Article DOI: 10.1021/jm101230g
BindingDB Entry DOI: 10.7270/Q2ZC83T4
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50335270
PNG
(2-(1-methyl-2-(4-nitrophenyl)-1H-indol-3-yl)-2-oxo...)
Show SMILES CCCN(CCC)C(=O)C(=O)c1c(-c2ccc(cc2)[N+]([O-])=O)n(C)c2ccccc12
Show InChI InChI=1S/C23H25N3O4/c1-4-14-25(15-5-2)23(28)22(27)20-18-8-6-7-9-19(18)24(3)21(20)16-10-12-17(13-11-16)26(29)30/h6-13H,4-5,14-15H2,1-3H3
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1.82n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [11C]PK11195 from mixed affinity binding site of TSPO in human brain membrane homogenate by scintillation counting


J Med Chem 54: 366-73 (2011)


Article DOI: 10.1021/jm101230g
BindingDB Entry DOI: 10.7270/Q2ZC83T4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50197248
PNG
(CHEMBL246244 | N-(2-methyl-2-phenylpropyl)-5,6,7,8...)
Show SMILES CC(C)(CNC(=O)c1cnc2CCCCc2n1)c1ccccc1
Show InChI InChI=1S/C19H23N3O/c1-19(2,14-8-4-3-5-9-14)13-21-18(23)17-12-20-15-10-6-7-11-16(15)22-17/h3-5,8-9,12H,6-7,10-11,13H2,1-2H3,(H,21,23)
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2n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay


Bioorg Med Chem Lett 17: 486-90 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.015
BindingDB Entry DOI: 10.7270/Q2VX0G5Q
More data for this
Ligand-Target Pair
Carboxypeptidase N, catalytic subunit


(Homo sapiens (Human))
BDBM50201438
PNG
((+/-)-5-guanidino-2-(mercaptomethyl)pentanoic acid...)
Show SMILES NC(N)=NCCCC(CS)C(O)=O
Show InChI InChI=1S/C7H15N3O2S/c8-7(9)10-3-1-2-5(4-13)6(11)12/h5,13H,1-4H2,(H,11,12)(H4,8,9,10)
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2n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human plasma carboxypeptidase N


J Med Chem 50: 6095-103 (2007)


Article DOI: 10.1021/jm0702433
BindingDB Entry DOI: 10.7270/Q2T153CG
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50197275
PNG
(CHEMBL246023 | N-(2-(4-fluorophenyl)-2-methylpropy...)
Show SMILES CC(C)(CNC(=O)c1cnc2ccccc2n1)c1ccc(F)cc1
Show InChI InChI=1S/C19H18FN3O/c1-19(2,13-7-9-14(20)10-8-13)12-22-18(24)17-11-21-15-5-3-4-6-16(15)23-17/h3-11H,12H2,1-2H3,(H,22,24)
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2n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay


Bioorg Med Chem Lett 17: 486-90 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.015
BindingDB Entry DOI: 10.7270/Q2VX0G5Q
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50335262
PNG
(CHEMBL1651228 | N-benzyl-N-ethyl-2-(1-methyl-2-phe...)
Show SMILES CCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccccc2)n(C)c2ccccc12
Show InChI InChI=1S/C26H24N2O2/c1-3-28(18-19-12-6-4-7-13-19)26(30)25(29)23-21-16-10-11-17-22(21)27(2)24(23)20-14-8-5-9-15-20/h4-17H,3,18H2,1-2H3
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2.92n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [11C]PK11195 from TSPO in rat kidney mitochondrial membrane


J Med Chem 54: 366-73 (2011)


Article DOI: 10.1021/jm101230g
BindingDB Entry DOI: 10.7270/Q2ZC83T4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50197249
PNG
(CHEMBL245819 | N-(2-methyl-2-phenylpropyl)quinoxal...)
Show SMILES CC(C)(CNC(=O)c1cnc2ccccc2n1)c1ccccc1
Show InChI InChI=1S/C19H19N3O/c1-19(2,14-8-4-3-5-9-14)13-21-18(23)17-12-20-15-10-6-7-11-16(15)22-17/h3-12H,13H2,1-2H3,(H,21,23)
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3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay


Bioorg Med Chem Lett 17: 486-90 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.015
BindingDB Entry DOI: 10.7270/Q2VX0G5Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50197254
PNG
(CHEMBL246250 | N-((1r,4r)-4-methylcyclohexyl)-5-(p...)
Show SMILES C[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cn1)N1CCCCC1
Show InChI InChI=1S/C17H26N4O/c1-13-5-7-14(8-6-13)20-17(22)15-11-19-16(12-18-15)21-9-3-2-4-10-21/h11-14H,2-10H2,1H3,(H,20,22)/t13-,14-
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3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay


Bioorg Med Chem Lett 17: 486-90 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.015
BindingDB Entry DOI: 10.7270/Q2VX0G5Q
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50305346
PNG
((S)-2-(2-aminoethoxy)-3-(1-phenyl-1H-imidazol-4-yl...)
Show SMILES NCCO[C@@H](Cc1cn(cn1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C14H17N3O3/c15-6-7-20-13(14(18)19)8-11-9-17(10-16-11)12-4-2-1-3-5-12/h1-5,9-10,13H,6-8,15H2,(H,18,19)/t13-/m0/s1
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3.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of active form of human recombinant TAFI assessed as substrate turnover every 15 seconds for 30 mins


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
BindingDB Entry DOI: 10.7270/Q2J1038R
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50201438
PNG
((+/-)-5-guanidino-2-(mercaptomethyl)pentanoic acid...)
Show SMILES NC(N)=NCCCC(CS)C(O)=O
Show InChI InChI=1S/C7H15N3O2S/c8-7(9)10-3-1-2-5(4-13)6(11)12/h5,13H,1-4H2,(H,11,12)(H4,8,9,10)
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4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human TAFIa


J Med Chem 50: 6095-103 (2007)


Article DOI: 10.1021/jm0702433
BindingDB Entry DOI: 10.7270/Q2T153CG
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50143244
PNG
(2-[2-(4-Fluoro-phenyl)-1H-indol-3-yl]-2-oxo-N,N-di...)
Show SMILES CCCN(CCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C22H23FN2O2/c1-3-13-25(14-4-2)22(27)21(26)19-17-7-5-6-8-18(17)24-20(19)15-9-11-16(23)12-10-15/h5-12,24H,3-4,13-14H2,1-2H3
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4.28n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [11C]PBR28 from TSPO in rat kidney mitochondrial membrane


J Med Chem 54: 366-73 (2011)


Article DOI: 10.1021/jm101230g
BindingDB Entry DOI: 10.7270/Q2ZC83T4
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50335270
PNG
(2-(1-methyl-2-(4-nitrophenyl)-1H-indol-3-yl)-2-oxo...)
Show SMILES CCCN(CCC)C(=O)C(=O)c1c(-c2ccc(cc2)[N+]([O-])=O)n(C)c2ccccc12
Show InChI InChI=1S/C23H25N3O4/c1-4-14-25(15-5-2)23(28)22(27)20-18-8-6-7-9-19(18)24(3)21(20)16-10-12-17(13-11-16)26(29)30/h6-13H,4-5,14-15H2,1-3H3
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5.70n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [11C]PK11195 from TSPO in rat kidney mitochondrial membrane


J Med Chem 54: 366-73 (2011)


Article DOI: 10.1021/jm101230g
BindingDB Entry DOI: 10.7270/Q2ZC83T4
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50305347
PNG
((S)-2-(2-aminoethoxy)-3-(1-(4-tert-butylphenyl)-1H...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1cnc(C[C@H](OCCN)C(O)=O)c1
Show InChI InChI=1S/C18H25N3O3/c1-18(2,3)13-4-6-15(7-5-13)21-11-14(20-12-21)10-16(17(22)23)24-9-8-19/h4-7,11-12,16H,8-10,19H2,1-3H3,(H,22,23)/t16-/m0/s1
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5.70n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of active form of human recombinant TAFI assessed as substrate turnover every 15 seconds for 30 mins


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
BindingDB Entry DOI: 10.7270/Q2J1038R
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50305351
PNG
((S)-2-((R)-1-aminopropan-2-yloxy)-3-(1-(pyridin-2-...)
Show SMILES C[C@H](CN)O[C@@H](Cc1cn(cn1)-c1ccccn1)C(O)=O
Show InChI InChI=1S/C14H18N4O3/c1-10(7-15)21-12(14(19)20)6-11-8-18(9-17-11)13-4-2-3-5-16-13/h2-5,8-10,12H,6-7,15H2,1H3,(H,19,20)/t10-,12+/m1/s1
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5.80n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of active form of human recombinant TAFI assessed as substrate turnover every 15 seconds for 30 mins


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
BindingDB Entry DOI: 10.7270/Q2J1038R
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50305345
PNG
((S)-2-(2-aminoethoxy)-3-(1-propyl-1H-imidazol-4-yl...)
Show SMILES CCCn1cnc(C[C@H](OCCN)C(O)=O)c1
Show InChI InChI=1S/C11H19N3O3/c1-2-4-14-7-9(13-8-14)6-10(11(15)16)17-5-3-12/h7-8,10H,2-6,12H2,1H3,(H,15,16)/t10-/m0/s1
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6.70n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of active form of human recombinant TAFI assessed as substrate turnover every 15 seconds for 30 mins


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
BindingDB Entry DOI: 10.7270/Q2J1038R
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50335269
PNG
(CHEMBL1651235 | N-benzyl-2-(2-(4-fluorophenyl)-1-m...)
Show SMILES CN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccc(F)cc2)n(C)c2ccccc12
Show InChI InChI=1S/C25H21FN2O2/c1-27(16-17-8-4-3-5-9-17)25(30)24(29)22-20-10-6-7-11-21(20)28(2)23(22)18-12-14-19(26)15-13-18/h3-15H,16H2,1-2H3
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6.77n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [11C]PK11195 from TSPO in rat kidney mitochondrial membrane


J Med Chem 54: 366-73 (2011)


Article DOI: 10.1021/jm101230g
BindingDB Entry DOI: 10.7270/Q2ZC83T4
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50305352
PNG
((S)-2-((R)-1-aminopropan-2-yloxy)-3-(1-phenyl-1H-i...)
Show SMILES C[C@H](CN)O[C@@H](Cc1cn(cn1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C15H19N3O3/c1-11(8-16)21-14(15(19)20)7-12-9-18(10-17-12)13-5-3-2-4-6-13/h2-6,9-11,14H,7-8,16H2,1H3,(H,19,20)/t11-,14+/m1/s1
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7.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of active form of human recombinant TAFI assessed as substrate turnover every 15 seconds for 30 mins


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
BindingDB Entry DOI: 10.7270/Q2J1038R
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50143236
PNG
(CHEMBL431938 | N,N-Dibutyl-2-oxo-2-(2-phenyl-1H-in...)
Show SMILES CCCCN(CCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C24H28N2O2/c1-3-5-16-26(17-6-4-2)24(28)23(27)21-19-14-10-11-15-20(19)25-22(21)18-12-8-7-9-13-18/h7-15,25H,3-6,16-17H2,1-2H3
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7.5n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [11C]PBR28 from TSPO in rat kidney mitochondrial membrane


J Med Chem 54: 366-73 (2011)


Article DOI: 10.1021/jm101230g
BindingDB Entry DOI: 10.7270/Q2ZC83T4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50197247
PNG
(CHEMBL246251 | N-cycloheptyl-5-(piperidin-1-yl)pyr...)
Show SMILES O=C(NC1CCCCCC1)c1cnc(cn1)N1CCCCC1
Show InChI InChI=1S/C17H26N4O/c22-17(20-14-8-4-1-2-5-9-14)15-12-19-16(13-18-15)21-10-6-3-7-11-21/h12-14H,1-11H2,(H,20,22)
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8n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay


Bioorg Med Chem Lett 17: 486-90 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.015
BindingDB Entry DOI: 10.7270/Q2VX0G5Q
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50305348
PNG
((S)-2-(2-aminoethoxy)-3-(1-(2-cyclohexylethyl)-1H-...)
Show SMILES NCCO[C@@H](Cc1cn(CCC2CCCCC2)cn1)C(O)=O
Show InChI InChI=1S/C16H27N3O3/c17-7-9-22-15(16(20)21)10-14-11-19(12-18-14)8-6-13-4-2-1-3-5-13/h11-13,15H,1-10,17H2,(H,20,21)/t15-/m0/s1
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8.20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of active form of human recombinant TAFI assessed as substrate turnover every 15 seconds for 30 mins


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
BindingDB Entry DOI: 10.7270/Q2J1038R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50197268
PNG
(5-(4-(hydroxymethyl)piperidin-1-yl)-N-((1r,4r)-4-m...)
Show SMILES C[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cn1)N1CCC(CO)CC1
Show InChI InChI=1S/C18H28N4O2/c1-13-2-4-15(5-3-13)21-18(24)16-10-20-17(11-19-16)22-8-6-14(12-23)7-9-22/h10-11,13-15,23H,2-9,12H2,1H3,(H,21,24)/t13-,15-
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9n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay


Bioorg Med Chem Lett 17: 486-90 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.015
BindingDB Entry DOI: 10.7270/Q2VX0G5Q
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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9.30n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [11C]PK11195 from TSPO in rat kidney mitochondrial membrane


J Med Chem 54: 366-73 (2011)


Article DOI: 10.1021/jm101230g
BindingDB Entry DOI: 10.7270/Q2ZC83T4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Translocator protein


(Homo sapiens (Human))
BDBM50335270
PNG
(2-(1-methyl-2-(4-nitrophenyl)-1H-indol-3-yl)-2-oxo...)
Show SMILES CCCN(CCC)C(=O)C(=O)c1c(-c2ccc(cc2)[N+]([O-])=O)n(C)c2ccccc12
Show InChI InChI=1S/C23H25N3O4/c1-4-14-25(15-5-2)23(28)22(27)20-18-8-6-7-9-19(18)24(3)21(20)16-10-12-17(13-11-16)26(29)30/h6-13H,4-5,14-15H2,1-3H3
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9.53n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [11C]PK11195 from low affinity binding site of TSPO in human brain membrane homogenate by scintillation counting


J Med Chem 54: 366-73 (2011)


Article DOI: 10.1021/jm101230g
BindingDB Entry DOI: 10.7270/Q2ZC83T4
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50226610
PNG
((2S)-5-AMINO-2-[(1-PROPYL-1H-IMIDAZOL-4-YL)METHYL]...)
Show SMILES CCCn1cnc(C[C@H](CCCN)C(O)=O)c1
Show InChI InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m0/s1
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10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human TAFIa


J Med Chem 50: 6095-103 (2007)


Article DOI: 10.1021/jm0702433
BindingDB Entry DOI: 10.7270/Q2T153CG
More data for this
Ligand-Target Pair
Carboxypeptidase A1


(Bos taurus (bovine))
BDBM50109593
PNG
(2-Benzyl-3-mercapto-propionic acid | 2-Mercaptomet...)
Show SMILES OC(=O)C(CS)Cc1ccccc1
Show InChI InChI=1S/C10H12O2S/c11-10(12)9(7-13)6-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,11,12)
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11n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of bovine pancreatic carboxypeptidase A


J Med Chem 50: 6095-103 (2007)


Article DOI: 10.1021/jm0702433
BindingDB Entry DOI: 10.7270/Q2T153CG
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50197272
PNG
(CHEMBL246245 | N-(2-methyl-2-phenylpropyl)-6-(pipe...)
Show SMILES CC(C)(CNC(=O)c1cncc(n1)N1CCCCC1)c1ccccc1
Show InChI InChI=1S/C20H26N4O/c1-20(2,16-9-5-3-6-10-16)15-22-19(25)17-13-21-14-18(23-17)24-11-7-4-8-12-24/h3,5-6,9-10,13-14H,4,7-8,11-12,15H2,1-2H3,(H,22,25)
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11n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay


Bioorg Med Chem Lett 17: 486-90 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.015
BindingDB Entry DOI: 10.7270/Q2VX0G5Q
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50335256
PNG
(CHEMBL1651222 | N-benzyl-N-methyl-2-oxo-2-(2-pheny...)
Show SMILES CN(Cc1ccccc1)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C24H20N2O2/c1-26(16-17-10-4-2-5-11-17)24(28)23(27)21-19-14-8-9-15-20(19)25-22(21)18-12-6-3-7-13-18/h2-15,25H,16H2,1H3
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12n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [11C]PK11195 from TSPO in rat kidney mitochondrial membrane


J Med Chem 54: 366-73 (2011)


Article DOI: 10.1021/jm101230g
BindingDB Entry DOI: 10.7270/Q2ZC83T4
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50143223
PNG
(2-Oxo-2-(2-phenyl-1H-indol-3-yl)-N,N-dipropyl-acet...)
Show SMILES CCCN(CCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C22H24N2O2/c1-3-14-24(15-4-2)22(26)21(25)19-17-12-8-9-13-18(17)23-20(19)16-10-6-5-7-11-16/h5-13,23H,3-4,14-15H2,1-2H3
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12.2n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [11C]PBR28 from TSPO in rat kidney mitochondrial membrane


J Med Chem 54: 366-73 (2011)


Article DOI: 10.1021/jm101230g
BindingDB Entry DOI: 10.7270/Q2ZC83T4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50197276
PNG
(5-((2-cyanoethyl)(methyl)amino)-N-(2-methyl-2-phen...)
Show SMILES CN(CCC#N)c1cnc(cn1)C(=O)NCC(C)(C)c1ccccc1
Show InChI InChI=1S/C19H23N5O/c1-19(2,15-8-5-4-6-9-15)14-23-18(25)16-12-22-17(13-21-16)24(3)11-7-10-20/h4-6,8-9,12-13H,7,11,14H2,1-3H3,(H,23,25)
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14n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay


Bioorg Med Chem Lett 17: 486-90 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.015
BindingDB Entry DOI: 10.7270/Q2VX0G5Q
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50305349
PNG
((+/-)-2-(2-aminoethoxy)-3-(1-butyl-1H-imidazol-4-y...)
Show SMILES CCCCn1cnc(CC(OCCN)C(O)=O)c1
Show InChI InChI=1S/C12H21N3O3/c1-2-3-5-15-8-10(14-9-15)7-11(12(16)17)18-6-4-13/h8-9,11H,2-7,13H2,1H3,(H,16,17)
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15n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of active form of human recombinant TAFI assessed as substrate turnover every 15 seconds for 30 mins


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
BindingDB Entry DOI: 10.7270/Q2J1038R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50197266
PNG
(CHEMBL246024 | N-(2-methoxy-2-phenylpropyl)quinoxa...)
Show SMILES COC(C)(CNC(=O)c1cnc2ccccc2n1)c1ccccc1
Show InChI InChI=1S/C19H19N3O2/c1-19(24-2,14-8-4-3-5-9-14)13-21-18(23)17-12-20-15-10-6-7-11-16(15)22-17/h3-12H,13H2,1-2H3,(H,21,23)
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15n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay


Bioorg Med Chem Lett 17: 486-90 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.015
BindingDB Entry DOI: 10.7270/Q2VX0G5Q
More data for this
Ligand-Target Pair
Thrombin-activable fibrinolysis inhibitor (TAFIa)


(Homo sapiens (Human))
BDBM50226610
PNG
((2S)-5-AMINO-2-[(1-PROPYL-1H-IMIDAZOL-4-YL)METHYL]...)
Show SMILES CCCn1cnc(C[C@H](CCCN)C(O)=O)c1
Show InChI InChI=1S/C12H21N3O2/c1-2-6-15-8-11(14-9-15)7-10(12(16)17)4-3-5-13/h8-10H,2-7,13H2,1H3,(H,16,17)/t10-/m0/s1
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16n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of active form of human recombinant TAFI assessed as substrate turnover every 15 seconds for 30 mins


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
BindingDB Entry DOI: 10.7270/Q2J1038R
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50257637
PNG
(1-(4-aminopyridin-2-yl)-4-phenyl-N-(quinolin-2-yl)...)
Show SMILES Nc1ccnc(c1)N1CCC(CC1)(C(=O)Nc1ccc2ccccc2n1)c1ccccc1
Show InChI InChI=1S/C26H25N5O/c27-21-12-15-28-24(18-21)31-16-13-26(14-17-31,20-7-2-1-3-8-20)25(32)30-23-11-10-19-6-4-5-9-22(19)29-23/h1-12,15,18H,13-14,16-17H2,(H2,27,28)(H,29,30,32)
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17n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 1702-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.106
BindingDB Entry DOI: 10.7270/Q21G0M40
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50197255
PNG
(CHEMBL443489 | N-(2-methyl-2-phenylpropyl)-5-(pipe...)
Show SMILES CC(C)(CNC(=O)c1cnc(cn1)N1CCCCC1)c1ccccc1
Show InChI InChI=1S/C20H26N4O/c1-20(2,16-9-5-3-6-10-16)15-23-19(25)17-13-22-18(14-21-17)24-11-7-4-8-12-24/h3,5-6,9-10,13-14H,4,7-8,11-12,15H2,1-2H3,(H,23,25)
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17n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay


Bioorg Med Chem Lett 17: 486-90 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.015
BindingDB Entry DOI: 10.7270/Q2VX0G5Q
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50257723
PNG
(2-(3-phenyl-3H-spiro[isobenzofuran-1,4'-piperidine...)
Show SMILES Nc1ccnc(c1)N1CCC2(CC1)OC(c1ccccc21)c1ccccc1
Show InChI InChI=1S/C23H23N3O/c24-18-10-13-25-21(16-18)26-14-11-23(12-15-26)20-9-5-4-8-19(20)22(27-23)17-6-2-1-3-7-17/h1-10,13,16,22H,11-12,14-15H2,(H2,24,25)
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18n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 1702-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.106
BindingDB Entry DOI: 10.7270/Q21G0M40
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50335258
PNG
(2-(1-methyl-2-phenyl-1H-indol-3-yl)-2-oxo-N,N-dipr...)
Show SMILES CCCN(CCC)C(=O)C(=O)c1c(-c2ccccc2)n(C)c2ccccc12
Show InChI InChI=1S/C23H26N2O2/c1-4-15-25(16-5-2)23(27)22(26)20-18-13-9-10-14-19(18)24(3)21(20)17-11-7-6-8-12-17/h6-14H,4-5,15-16H2,1-3H3
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19.5n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [11C]PK11195 from TSPO in rat kidney mitochondrial membrane


J Med Chem 54: 366-73 (2011)


Article DOI: 10.1021/jm101230g
BindingDB Entry DOI: 10.7270/Q2ZC83T4
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50335267
PNG
(2-(2-(4-fluorophenyl)-1-methyl-1H-indol-3-yl)-2-ox...)
Show SMILES CCCN(CCC)C(=O)C(=O)c1c(-c2ccc(F)cc2)n(C)c2ccccc12
Show InChI InChI=1S/C23H25FN2O2/c1-4-14-26(15-5-2)23(28)22(27)20-18-8-6-7-9-19(18)25(3)21(20)16-10-12-17(24)13-11-16/h6-13H,4-5,14-15H2,1-3H3
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19.8n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [11C]PK11195 from TSPO in rat kidney mitochondrial membrane


J Med Chem 54: 366-73 (2011)


Article DOI: 10.1021/jm101230g
BindingDB Entry DOI: 10.7270/Q2ZC83T4
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50335265
PNG
(CHEMBL1651231 | N-benzyl-N-methyl-2-(1-methyl-2-ph...)
Show SMILES CN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccccc2)n(C)c2ccccc12
Show InChI InChI=1S/C25H22N2O2/c1-26(17-18-11-5-3-6-12-18)25(29)24(28)22-20-15-9-10-16-21(20)27(2)23(22)19-13-7-4-8-14-19/h3-16H,17H2,1-2H3
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20.9n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [11C]PK11195 from TSPO in rat kidney mitochondrial membrane


J Med Chem 54: 366-73 (2011)


Article DOI: 10.1021/jm101230g
BindingDB Entry DOI: 10.7270/Q2ZC83T4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50197265
PNG
(CHEMBL241699 | N-(2-phenylpropyl)quinoxaline-2-car...)
Show SMILES CC(CNC(=O)c1cnc2ccccc2n1)c1ccccc1
Show InChI InChI=1S/C18H17N3O/c1-13(14-7-3-2-4-8-14)11-20-18(22)17-12-19-15-9-5-6-10-16(15)21-17/h2-10,12-13H,11H2,1H3,(H,20,22)
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22n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as increase in calcium internalisation by FLIPR assay


Bioorg Med Chem Lett 17: 486-90 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.015
BindingDB Entry DOI: 10.7270/Q2VX0G5Q
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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23n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [11C]PK11195 from TSPO in rat kidney mitochondrial membrane


J Med Chem 54: 366-73 (2011)


Article DOI: 10.1021/jm101230g
BindingDB Entry DOI: 10.7270/Q2ZC83T4
More data for this
Ligand-Target Pair
Peripheral-Type Benzodiazepine Receptor


(Rattus norvegicus (rat))
BDBM50335266
PNG
(2-(5-fluoro-1-methyl-2-phenyl-1H-indol-3-yl)-2-oxo...)
Show SMILES CCCN(CCC)C(=O)C(=O)c1c(-c2ccccc2)n(C)c2ccc(F)cc12
Show InChI InChI=1S/C23H25FN2O2/c1-4-13-26(14-5-2)23(28)22(27)20-18-15-17(24)11-12-19(18)25(3)21(20)16-9-7-6-8-10-16/h6-12,15H,4-5,13-14H2,1-3H3
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23.7n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [11C]PK11195 from TSPO in rat kidney mitochondrial membrane


J Med Chem 54: 366-73 (2011)


Article DOI: 10.1021/jm101230g
BindingDB Entry DOI: 10.7270/Q2ZC83T4
More data for this
Ligand-Target Pair
Thrombin-activatable fibrinolysis (TAFI)


(Homo sapiens (Human))
BDBM50305348
PNG
((S)-2-(2-aminoethoxy)-3-(1-(2-cyclohexylethyl)-1H-...)
Show SMILES NCCO[C@@H](Cc1cn(CCC2CCCCC2)cn1)C(O)=O
Show InChI InChI=1S/C16H27N3O3/c17-7-9-22-15(16(20)21)10-14-11-19(12-18-14)8-6-13-4-2-1-3-5-13/h11-13,15H,1-10,17H2,(H,20,21)/t15-/m0/s1
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27n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human pancreatic carboxypeptidase B


Bioorg Med Chem Lett 20: 92-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.029
BindingDB Entry DOI: 10.7270/Q2J1038R
More data for this
Ligand-Target Pair
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