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Compile Data Set for Download or QSAR

Found 80 hits Enz. Inhib. hit(s) with all data for entry = 50018267   
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))
BDBM50409614
PNG
(CHEMBL5288131)
Show SMILES OC(=O)C1CCN(CC1)C1CN(CCC2(CCC(=O)N(CC3CC3)C2)c2ccc(Cl)c(Cl)c2)C1
Show InChI InChI=1S/C26H35Cl2N3O3/c27-22-4-3-20(13-23(22)28)26(8-5-24(32)31(17-26)14-18-1-2-18)9-12-29-15-21(16-29)30-10-6-19(7-11-30)25(33)34/h3-4,13,18-19,21H,1-2,5-12,14-17H2,(H,33,34)
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0.0700n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) from Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50409613
PNG
(CHEMBL5275028)
Show SMILES Clc1ccc(cc1Cl)C1(CCN2CC(C2)N2CCC(=O)CC2)CCC(=O)N(CC2CC2)C1
Show InChI InChI=1S/C25H33Cl2N3O2/c26-22-4-3-19(13-23(22)27)25(8-5-24(32)30(17-25)14-18-1-2-18)9-12-28-15-20(16-28)29-10-6-21(31)7-11-29/h3-4,13,18,20H,1-2,5-12,14-17H2
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0.300n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) from Escherichia coli


Citation and Details
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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0.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50363523
PNG
(CHEMBL1944785)
Show SMILES CCN(CC)C(=O)[C@H]1CCCc2c1c1c(OC)cccc1n2CCF |r|
Show InChI InChI=1S/C20H27FN2O2/c1-4-22(5-2)20(24)14-8-6-9-15-18(14)19-16(23(15)13-12-21)10-7-11-17(19)25-3/h7,10-11,14H,4-6,8-9,12-13H2,1-3H3/t14-/m0/s1
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2.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50045880
PNG
(2-[5-Chloro-2-(4-chloro-phenyl)-1H-indol-3-yl]-N,N...)
Show SMILES CCCN(CCC)C(=O)Cc1c([nH]c2ccc(Cl)cc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H24Cl2N2O/c1-3-11-26(12-4-2)21(27)14-19-18-13-17(24)9-10-20(18)25-22(19)15-5-7-16(23)8-6-15/h5-10,13,25H,3-4,11-12,14H2,1-2H3
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3.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) of Neisseria gonorrhoea


Citation and Details
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Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50243007
PNG
(2-(2-(4-(2-Fluoroethoxy)phenyl)-5,7-dimethylpyrazo...)
Show SMILES CCN(CC)C(=O)Cc1c(nn2c(C)cc(C)nc12)-c1ccc(OCCF)cc1
Show InChI InChI=1S/C22H27FN4O2/c1-5-26(6-2)20(28)14-19-21(17-7-9-18(10-8-17)29-12-11-23)25-27-16(4)13-15(3)24-22(19)27/h7-10,13H,5-6,11-12,14H2,1-4H3
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7n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) from rat liver


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
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 0.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


Citation and Details
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 1.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Translocator protein


(Rattus norvegicus (rat))
BDBM50059754
PNG
(3-Methyl-4-phenyl-quinoline-2-carboxylic acid sec-...)
Show SMILES CCC(C)N(C)C(=O)c1nc2ccccc2c(-c2ccccc2)c1C
Show InChI InChI=1S/C22H24N2O/c1-5-15(2)24(4)22(25)21-16(3)20(17-11-7-6-8-12-17)18-13-9-10-14-19(18)23-21/h6-15H,5H2,1-4H3
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n/an/a 2.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50059749
PNG
(3-Methyl-4-phenyl-quinoline-2-carboxylic acid benz...)
Show SMILES CN(Cc1ccccc1)C(=O)c1nc2ccccc2c(c1C)-c1ccccc1
Show InChI InChI=1S/C25H22N2O/c1-18-23(20-13-7-4-8-14-20)21-15-9-10-16-22(21)26-24(18)25(28)27(2)17-19-11-5-3-6-12-19/h3-16H,17H2,1-2H3
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n/an/a 2.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat liver Dihydrofolate reductase.


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50131729
PNG
(4-(2-Fluoro-phenyl)-3-methyl-quinoline-2-carboxyli...)
Show SMILES CN(Cc1ccccc1)C(=O)c1nc2ccccc2c(c1C)-c1ccccc1F |(11.02,-3.02,;11.02,-1.48,;12.35,-.71,;13.68,-1.47,;15,-.68,;16.34,-1.45,;16.36,-2.99,;15.03,-3.76,;13.68,-3.01,;9.68,-.72,;9.67,.82,;8.35,-1.5,;7.01,-.73,;5.69,-1.52,;4.35,-.75,;3.02,-1.52,;3.02,-3.06,;4.35,-3.83,;5.69,-3.06,;7.03,-3.83,;8.36,-3.04,;9.69,-3.81,;7.03,-5.35,;5.69,-6.12,;5.69,-7.66,;7.03,-8.43,;8.36,-7.65,;8.36,-6.12,;9.69,-5.34,)|
Show InChI InChI=1S/C25H21FN2O/c1-17-23(19-12-6-8-14-21(19)26)20-13-7-9-15-22(20)27-24(17)25(29)28(2)16-18-10-4-3-5-11-18/h3-15H,16H2,1-2H3
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n/an/a 2.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) from rat liver


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50059755
PNG
(4-(2-Fluoro-phenyl)-3-methyl-quinoline-2-carboxyli...)
Show SMILES CCC(C)N(C)C(=O)c1nc2ccccc2c(c1C)-c1ccccc1F |(5.27,-7.89,;3.94,-8.66,;3.95,-10.2,;5.3,-10.97,;2.62,-10.99,;2.64,-12.53,;1.29,-10.23,;1.27,-8.69,;-.04,-11.01,;-1.38,-10.25,;-2.7,-11.02,;-4.04,-10.25,;-5.37,-11.04,;-5.37,-12.58,;-4.04,-13.35,;-2.7,-12.56,;-1.37,-13.33,;-.02,-12.55,;1.31,-13.31,;-1.37,-14.87,;-2.7,-15.64,;-2.7,-17.18,;-1.37,-17.95,;-.02,-17.16,;-.04,-15.63,;1.29,-14.86,)|
Show InChI InChI=1S/C22H23FN2O/c1-5-14(2)25(4)22(26)21-15(3)20(16-10-6-8-12-18(16)23)17-11-7-9-13-19(17)24-21/h6-14H,5H2,1-4H3
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n/an/a 2.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat liver Dihydrofolate reductase.


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50059758
PNG
(4-Methyl-1-phenyl-isoquinoline-3-carboxylic acid b...)
Show SMILES CN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2)c2ccccc2c1C
Show InChI InChI=1S/C25H22N2O/c1-18-21-15-9-10-16-22(21)24(20-13-7-4-8-14-20)26-23(18)25(28)27(2)17-19-11-5-3-6-12-19/h3-16H,17H2,1-2H3
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n/an/a 3.10n/an/an/an/an/an/a


TBA

Assay Description
Evaluated for the inhibition of chicken liver Dihydrofolate reductase by using standard enzyme assay


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50059739
PNG
(4-(2-Fluoro-phenyl)-3-methyl-quinoline-2-carboxyli...)
Show SMILES CN(Cc1ccc(Cl)cc1)C(=O)c1nc2ccccc2c(c1C)-c1ccccc1F |(2.64,-12.53,;2.62,-10.99,;3.95,-10.2,;5.3,-10.97,;6.61,-10.18,;7.94,-10.94,;7.96,-12.49,;9.29,-13.25,;6.63,-13.26,;5.3,-12.51,;1.29,-10.23,;1.27,-8.69,;-.04,-11.01,;-1.38,-10.25,;-2.7,-11.02,;-4.04,-10.25,;-5.37,-11.04,;-5.37,-12.58,;-4.04,-13.35,;-2.7,-12.56,;-1.37,-13.33,;-.02,-12.55,;1.31,-13.31,;-1.37,-14.87,;-2.7,-15.64,;-2.7,-17.18,;-1.37,-17.95,;-.02,-17.16,;-.04,-15.63,;1.29,-14.86,)|
Show InChI InChI=1S/C25H20ClFN2O/c1-16-23(19-7-3-5-9-21(19)27)20-8-4-6-10-22(20)28-24(16)25(30)29(2)15-17-11-13-18(26)14-12-17/h3-14H,15H2,1-2H3
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n/an/a 3.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat liver Dihydrofolate reductase.


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50098694
PNG
(3-[(Benzyl-ethyl-amino)-methyl]-4-phenyl-quinoline...)
Show SMILES CCN(Cc1ccccc1)Cc1c(nc2ccccc2c1-c1ccccc1)C(=O)N(CC)CC
Show InChI InChI=1S/C30H33N3O/c1-4-32(21-23-15-9-7-10-16-23)22-26-28(24-17-11-8-12-18-24)25-19-13-14-20-27(25)31-29(26)30(34)33(5-2)6-3/h7-20H,4-6,21-22H2,1-3H3
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n/an/a 4.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) of Plasmodium berghei


Citation and Details
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Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50059738
PNG
(3-Methyl-4-phenyl-quinoline-2-carboxylic acid (4-c...)
Show SMILES CN(C(=O)c1nc2ccccc2c(c1C)-c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H19ClN2O/c1-16-22(17-8-4-3-5-9-17)20-10-6-7-11-21(20)26-23(16)24(28)27(2)19-14-12-18(25)13-15-19/h3-15H,1-2H3
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n/an/a 6.40n/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for inhibitory activity against Dihydrofolate Reductase(DHFR) of rat liver


Citation and Details
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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 8.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) from Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Translocator protein


(Rattus norvegicus (rat))
BDBM50131721
PNG
(3-Hydroxymethyl-4-phenyl-quinoline-2-carboxylic ac...)
Show SMILES CN(Cc1ccccc1)C(=O)c1nc2ccccc2c(-c2ccccc2)c1CO
Show InChI InChI=1S/C25H22N2O2/c1-27(16-18-10-4-2-5-11-18)25(29)24-21(17-28)23(19-12-6-3-7-13-19)20-14-8-9-15-22(20)26-24/h2-15,28H,16-17H2,1H3
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n/an/a 8.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) from rat liver


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50059756
PNG
(3-Methyl-4-phenyl-quinoline-2-carboxylic acid (4-m...)
Show SMILES COc1ccc(cc1)N(C)C(=O)c1nc2ccccc2c(c1C)-c1ccccc1
Show InChI InChI=1S/C25H22N2O2/c1-17-23(18-9-5-4-6-10-18)21-11-7-8-12-22(21)26-24(17)25(28)27(2)19-13-15-20(29-3)16-14-19/h4-16H,1-3H3
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n/an/a 8.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50059750
PNG
(7,8-Dihydro-benzo[k]phenanthridine-6-carboxylic ac...)
Show SMILES CN(Cc1ccccc1)C(=O)c1nc2ccccc2c-2c1CCc1ccccc-21
Show InChI InChI=1S/C26H22N2O/c1-28(17-18-9-3-2-4-10-18)26(29)25-22-16-15-19-11-5-6-12-20(19)24(22)21-13-7-8-14-23(21)27-25/h2-14H,15-17H2,1H3
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n/an/a 8.90n/an/an/an/an/an/a


TBA

Assay Description
Evaluated for the inhibition of chicken liver Dihydrofolate reductase by using standard enzyme assay


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50131727
PNG
(3-Methyl-4-phenyl-naphthalene-2-carboxylic acid be...)
Show SMILES CN(Cc1ccccc1)C(=O)c1cc2ccccc2c(c1C)-c1ccccc1
Show InChI InChI=1S/C26H23NO/c1-19-24(26(28)27(2)18-20-11-5-3-6-12-20)17-22-15-9-10-16-23(22)25(19)21-13-7-4-8-14-21/h3-17H,18H2,1-2H3
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n/an/a 9.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) from Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50059745
PNG
(3-Methyl-4-phenyl-quinoline-2-carboxylic acid (4-c...)
Show SMILES CN(Cc1ccc(Cl)cc1)C(=O)c1nc2ccccc2c(c1C)-c1ccccc1
Show InChI InChI=1S/C25H21ClN2O/c1-17-23(19-8-4-3-5-9-19)21-10-6-7-11-22(21)27-24(17)25(29)28(2)16-18-12-14-20(26)15-13-18/h3-15H,16H2,1-2H3
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n/an/a 9.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50409519
PNG
(CHEMBL5275613)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CCC2Cc3cc(F)ccc3C2=O)CC1
Show InChI InChI=1S/C25H28F2N2O2/c26-21-5-3-18(4-6-21)24(30)2-1-10-28-12-14-29(15-13-28)11-9-19-16-20-17-22(27)7-8-23(20)25(19)31/h3-8,17,19H,1-2,9-16H2
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Evaluated for the inhibition of chicken liver Dihydrofolate reductase by using standard enzyme assay


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50059743
PNG
(4-Methyl-1-phenyl-isoquinoline-3-carboxylic acid s...)
Show SMILES CCC(C)N(C)C(=O)c1nc(-c2ccccc2)c2ccccc2c1C
Show InChI InChI=1S/C22H24N2O/c1-5-15(2)24(4)22(25)20-16(3)18-13-9-10-14-19(18)21(23-20)17-11-7-6-8-12-17/h6-15H,5H2,1-4H3
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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50131730
PNG
(3-Methyl-4-phenyl-quinoline-2-carboxylic acid dibe...)
Show SMILES Cc1c(nc2ccccc2c1-c1ccccc1)C(=O)N(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C31H26N2O/c1-23-29(26-17-9-4-10-18-26)27-19-11-12-20-28(27)32-30(23)31(34)33(21-24-13-5-2-6-14-24)22-25-15-7-3-8-16-25/h2-20H,21-22H2,1H3
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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) of Neisseria gonorrhoea


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50131726
PNG
(3-Diethylaminomethyl-4-phenyl-quinoline-2-carboxyl...)
Show SMILES CCN(CC)Cc1c(nc2ccccc2c1-c1ccccc1)C(=O)N(C)Cc1ccccc1
Show InChI InChI=1S/C29H31N3O/c1-4-32(5-2)21-25-27(23-16-10-7-11-17-23)24-18-12-13-19-26(24)30-28(25)29(33)31(3)20-22-14-8-6-9-15-22/h6-19H,4-5,20-21H2,1-3H3
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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) of Neisseria gonorrhoea


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50059737
PNG
(4-(2-Fluoro-phenyl)-3-methyl-quinoline-2-carboxyli...)
Show SMILES CCC(C)NC(=O)c1nc2ccccc2c(c1C)-c1ccccc1F |(5.27,-7.89,;3.94,-8.66,;3.95,-10.2,;5.3,-10.97,;2.62,-10.99,;1.29,-10.23,;1.27,-8.69,;-.04,-11.01,;-1.38,-10.25,;-2.7,-11.02,;-4.04,-10.25,;-5.37,-11.04,;-5.37,-12.58,;-4.04,-13.35,;-2.7,-12.56,;-1.37,-13.33,;-.02,-12.55,;1.31,-13.31,;-1.37,-14.87,;-2.7,-15.64,;-2.7,-17.18,;-1.37,-17.95,;-.02,-17.16,;-.04,-15.63,;1.29,-14.86,)|
Show InChI InChI=1S/C21H21FN2O/c1-4-13(2)23-21(25)20-14(3)19(15-9-5-7-11-17(15)22)16-10-6-8-12-18(16)24-20/h5-13H,4H2,1-3H3,(H,23,25)
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n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50131733
PNG
(4-Phenyl-quinoline-2-carboxylic acid benzyl-methyl...)
Show SMILES CN(Cc1ccccc1)C(=O)c1cc(-c2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C24H20N2O/c1-26(17-18-10-4-2-5-11-18)24(27)23-16-21(19-12-6-3-7-13-19)20-14-8-9-15-22(20)25-23/h2-16H,17H2,1H3
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n/an/a 38n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) from Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50054128
PNG
(2-[2-(4-Chloro-phenyl)-1-oxo-1,2-dihydro-pyrrolo[3...)
Show SMILES CCCN(CCC)C(=O)\C=C1\N(C(=O)c2cc3ccccc3nc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H24ClN3O2/c1-3-13-28(14-4-2)23(30)16-22-24-20(15-17-7-5-6-8-21(17)27-24)25(31)29(22)19-11-9-18(26)10-12-19/h5-12,15-16H,3-4,13-14H2,1-2H3/b22-16+
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n/an/a 40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat liver Dihydrofolate reductase.


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50059751
PNG
(8-Benzyl-5-phenyl-8,11-dihydro-6,8-diaza-cyclohept...)
Show SMILES O=C1N(Cc2ccccc2)CC=Cc2c1nc(-c1ccccc1)c1ccccc21 |c:12|
Show InChI InChI=1S/C26H20N2O/c29-26-25-23(16-9-17-28(26)18-19-10-3-1-4-11-19)21-14-7-8-15-22(21)24(27-25)20-12-5-2-6-13-20/h1-16H,17-18H2
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n/an/a 45n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50131731
PNG
(4-Phenyl-naphthalene-2-carboxylic acid benzyl-meth...)
Show SMILES CN(Cc1ccccc1)C(=O)c1cc(-c2ccccc2)c2ccccc2c1
Show InChI InChI=1S/C25H21NO/c1-26(18-19-10-4-2-5-11-19)25(27)22-16-21-14-8-9-15-23(21)24(17-22)20-12-6-3-7-13-20/h2-17H,18H2,1H3
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n/an/a 64n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) from Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50054130
PNG
((E)-2-(2-(4-chlorophenyl)-1-oxo-1,2-dihydropyrrolo...)
Show SMILES CCCCCCN(CCCCCC)C(=O)\C=C1\N(C(=O)c2cc3ccccc3nc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C31H36ClN3O2/c1-3-5-7-11-19-34(20-12-8-6-4-2)29(36)22-28-30-26(21-23-13-9-10-14-27(23)33-30)31(37)35(28)25-17-15-24(32)16-18-25/h9-10,13-18,21-22H,3-8,11-12,19-20H2,1-2H3/b28-22+
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n/an/a 150n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat liver Dihydrofolate reductase.


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50059740
PNG
(7-Benzyl-11-phenyl-7,8,9,10-tetrahydro-5,7-diaza-c...)
Show SMILES O=C1N(Cc2ccccc2)CCCc2c1nc1ccccc1c2-c1ccccc1
Show InChI InChI=1S/C26H22N2O/c29-26-25-22(15-9-17-28(26)18-19-10-3-1-4-11-19)24(20-12-5-2-6-13-20)21-14-7-8-16-23(21)27-25/h1-8,10-14,16H,9,15,17-18H2
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n/an/a 170n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50098699
PNG
(2-[(Benzyl-ethyl-amino)-methyl]-4-phenyl-quinoline...)
Show SMILES CCN(Cc1ccccc1)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)N(C)C
Show InChI InChI=1S/C28H29N3O/c1-4-31(19-21-13-7-5-8-14-21)20-25-27(28(32)30(2)3)26(22-15-9-6-10-16-22)23-17-11-12-18-24(23)29-25/h5-18H,4,19-20H2,1-3H3
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n/an/a 229n/an/an/an/an/an/a


TBA

Assay Description
Evaluated for the inhibition of chicken liver Dihydrofolate reductase by using standard enzyme assay


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50059744
PNG
(3-Methyl-4-phenyl-quinoline-2-carboxylic acid sec-...)
Show SMILES CCC(C)NC(=O)c1nc2ccccc2c(c1C)-c1ccccc1
Show InChI InChI=1S/C21H22N2O/c1-4-14(2)22-21(24)20-15(3)19(16-10-6-5-7-11-16)17-12-8-9-13-18(17)23-20/h5-14H,4H2,1-3H3,(H,22,24)
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n/an/a 230n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat liver Dihydrofolate reductase.


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50059732
PNG
(4-(2-Fluoro-phenyl)-3-methyl-quinoline-2-carboxyli...)
Show SMILES Cc1c(nc2ccccc2c1-c1ccccc1F)C(=O)NCc1ccc(Cl)cc1 |(1.31,-13.31,;-.02,-12.55,;-.04,-11.01,;-1.38,-10.25,;-2.7,-11.02,;-4.04,-10.25,;-5.37,-11.04,;-5.37,-12.58,;-4.04,-13.35,;-2.7,-12.56,;-1.37,-13.33,;-1.37,-14.87,;-2.7,-15.64,;-2.7,-17.18,;-1.37,-17.95,;-.02,-17.16,;-.04,-15.63,;1.29,-14.86,;1.29,-10.23,;1.27,-8.69,;2.62,-10.99,;3.95,-10.2,;5.3,-10.97,;5.3,-12.51,;6.63,-13.26,;7.96,-12.49,;9.29,-13.25,;7.94,-10.94,;6.61,-10.18,)|
Show InChI InChI=1S/C24H18ClFN2O/c1-15-22(18-6-2-4-8-20(18)26)19-7-3-5-9-21(19)28-23(15)24(29)27-14-16-10-12-17(25)13-11-16/h2-13H,14H2,1H3,(H,27,29)
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n/an/a 270n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50054134
PNG
(2-[6-(4-Chloro-phenyl)-5-oxo-5,6-dihydro-pyrrolo[3...)
Show SMILES CCCN(CCC)C(=O)\C=C1\N(C(=O)c2cccnc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H22ClN3O2/c1-3-12-24(13-4-2)19(26)14-18-20-17(6-5-11-23-20)21(27)25(18)16-9-7-15(22)8-10-16/h5-11,14H,3-4,12-13H2,1-2H3/b18-14+
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n/an/a 290n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50098689
PNG
(2-[(Benzyl-ethyl-amino)-methyl]-4-phenyl-quinoline...)
Show SMILES CCN(Cc1ccccc1)Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)N(CC)CC
Show InChI InChI=1S/C30H33N3O/c1-4-32(21-23-15-9-7-10-16-23)22-27-29(30(34)33(5-2)6-3)28(24-17-11-8-12-18-24)25-19-13-14-20-26(25)31-27/h7-20H,4-6,21-22H2,1-3H3
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n/an/a 373n/an/an/an/an/an/a


TBA

Assay Description
Evaluated for the inhibition of chicken liver Dihydrofolate reductase by using standard enzyme assay


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50098693
PNG
(2-[(Benzyl-ethyl-amino)-methyl]-4-phenyl-quinoline...)
Show SMILES CCCN(CCC)C(=O)c1c(CN(CC)Cc2ccccc2)nc2ccccc2c1-c1ccccc1
Show InChI InChI=1S/C32H37N3O/c1-4-21-35(22-5-2)32(36)31-29(24-34(6-3)23-25-15-9-7-10-16-25)33-28-20-14-13-19-27(28)30(31)26-17-11-8-12-18-26/h7-20H,4-6,21-24H2,1-3H3
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n/an/a 456n/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50059730
PNG
(2-Benzyl-5-phenyl-1,2-dihydro-pyrrolo[3,4-c]isoqui...)
Show SMILES O=C1N(Cc2ccccc2)Cc2c1nc(-c1ccccc1)c1ccccc21
Show InChI InChI=1S/C24H18N2O/c27-24-23-21(16-26(24)15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)22(25-23)18-11-5-2-6-12-18/h1-14H,15-16H2
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n/an/a 480n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50059731
PNG
(8-sec-Butyl-5-phenyl-8,9-dihydro-6,8-diaza-cyclohe...)
Show SMILES CCC(C)N1CC=Cc2c(nc(-c3ccccc3)c3ccccc23)C1=O |c:6|
Show InChI InChI=1S/C23H22N2O/c1-3-16(2)25-15-9-14-20-18-12-7-8-13-19(18)21(24-22(20)23(25)26)17-10-5-4-6-11-17/h4-14,16H,3,15H2,1-2H3
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n/an/a 490n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50098697
PNG
(2-(Benzyl-ethyl-amino)-4-phenyl-quinoline-3-carbox...)
Show SMILES CCOC(=O)c1c(nc2ccccc2c1-c1ccccc1)N(CC)Cc1ccccc1
Show InChI InChI=1S/C27H26N2O2/c1-3-29(19-20-13-7-5-8-14-20)26-25(27(30)31-4-2)24(21-15-9-6-10-16-21)22-17-11-12-18-23(22)28-26/h5-18H,3-4,19H2,1-2H3
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n/an/a 540n/an/an/an/an/an/a


TBA

Assay Description
Evaluated for the inhibition of chicken liver Dihydrofolate reductase by using standard enzyme assay


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50059742
PNG
(4-Methyl-1-phenyl-isoquinoline-3-carboxylic acid s...)
Show SMILES CCC(C)NC(=O)c1nc(-c2ccccc2)c2ccccc2c1C
Show InChI InChI=1S/C21H22N2O/c1-4-14(2)22-21(24)19-15(3)17-12-8-9-13-18(17)20(23-19)16-10-6-5-7-11-16/h5-14H,4H2,1-3H3,(H,22,24)
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n/an/a 550n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50059734
PNG
(2-sec-Butyl-5-phenyl-1,2-dihydro-pyrrolo[3,4-c]iso...)
Show SMILES CCC(C)N1Cc2c(nc(-c3ccccc3)c3ccccc23)C1=O
Show InChI InChI=1S/C21H20N2O/c1-3-14(2)23-13-18-16-11-7-8-12-17(16)19(22-20(18)21(23)24)15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3
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n/an/a 620n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50098691
PNG
(2-[(Benzyl-ethyl-amino)-methyl]-4-phenyl-quinoline...)
Show SMILES CCOC(=O)c1c(CN(CC)Cc2ccccc2)nc2ccccc2c1-c1ccccc1
Show InChI InChI=1S/C28H28N2O2/c1-3-30(19-21-13-7-5-8-14-21)20-25-27(28(31)32-4-2)26(22-15-9-6-10-16-22)23-17-11-12-18-24(23)29-25/h5-18H,3-4,19-20H2,1-2H3
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n/an/a 700n/an/an/an/an/an/a


TBA

Assay Description
Evaluated for the inhibition of chicken liver Dihydrofolate reductase by using standard enzyme assay


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50059733
PNG
(8-sec-Butyl-5-phenyl-8,9,10,11-tetrahydro-6,8-diaz...)
Show SMILES CCC(C)N1CCCc2c(nc(-c3ccccc3)c3ccccc23)C1=O
Show InChI InChI=1S/C23H24N2O/c1-3-16(2)25-15-9-14-20-18-12-7-8-13-19(18)21(24-22(20)23(25)26)17-10-5-4-6-11-17/h4-8,10-13,16H,3,9,14-15H2,1-2H3
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n/an/a 780n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


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Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50059748
PNG
(2-Benzyl-1-butyl-9-phenyl-1,2-dihydro-pyrrolo[3,4-...)
Show SMILES CCCCC1N(Cc2ccccc2)C(=O)c2nc3ccccc3c(c12)-c1ccccc1
Show InChI InChI=1S/C28H26N2O/c1-2-3-18-24-26-25(21-14-8-5-9-15-21)22-16-10-11-17-23(22)29-27(26)28(31)30(24)19-20-12-6-4-7-13-20/h4-17,24H,2-3,18-19H2,1H3
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n/an/a 810n/an/an/an/an/an/a


TBA

Assay Description
Compound was tested for inhibitory activity against Dihydrofolate Reductase of rat liver


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More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50098705
PNG
(2-[(Benzyl-ethyl-amino)-methyl]-4-phenyl-quinoline...)
Show SMILES CCCNC(=O)c1c(CN(CC)Cc2ccccc2)nc2ccccc2c1-c1ccccc1
Show InChI InChI=1S/C29H31N3O/c1-3-19-30-29(33)28-26(21-32(4-2)20-22-13-7-5-8-14-22)31-25-18-12-11-17-24(25)27(28)23-15-9-6-10-16-23/h5-18H,3-4,19-21H2,1-2H3,(H,30,33)
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n/an/a 872n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) from rat liver


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50409507
PNG
(CHEMBL5283306)
Show SMILES O=C1C(CCN2CCN(CC2)c2ccccn2)CCc2occc12
Show InChI InChI=1S/C19H23N3O2/c23-19-15(4-5-17-16(19)7-14-24-17)6-9-21-10-12-22(13-11-21)18-3-1-2-8-20-18/h1-3,7-8,14-15H,4-6,9-13H2
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n/an/a>1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Dihydrofolate reductase of Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Translocator protein


(Rattus norvegicus (rat))
BDBM50054132
PNG
(2-[6-(4-Chloro-phenyl)-5-oxo-6,7-dihydro-5H-pyrrol...)
Show SMILES CCCN(CCC)C(=O)Cc1n(-c2ccc(Cl)cc2)c(=O)c2ccc[nH]c12
Show InChI InChI=1S/C21H24ClN3O2/c1-3-12-24(13-4-2)19(26)14-18-20-17(6-5-11-23-20)21(27)25(18)16-9-7-15(22)8-10-16/h5-11,23H,3-4,12-14H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat liver Dihydrofolate reductase.


Citation and Details
More data for this
Ligand-Target Pair
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