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PubMed code 27554444

Compile data set for download or QSAR
Found 43 hits of Enzyme Inhibition Constant Data   
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
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM18050
PNG
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH


Bioorg Med Chem Lett 26: 4815-4823 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.022
BindingDB Entry DOI: 10.7270/Q2GX4DHG
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50196309
PNG
(CHEMBL3929338)
Show SMILES COc1ccc(CSc2nc3ccc(C)cc3c(=O)n2Cc2ccccc2)cc1
Show InChI InChI=1S/C24H22N2O2S/c1-17-8-13-22-21(14-17)23(27)26(15-18-6-4-3-5-7-18)24(25-22)29-16-19-9-11-20(28-2)12-10-19/h3-14H,15-16H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH


Bioorg Med Chem Lett 26: 4815-4823 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.022
BindingDB Entry DOI: 10.7270/Q2GX4DHG
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50196287
PNG
(CHEMBL3936506)
Show SMILES COc1ccc(CSc2nc3ccc(Cl)cc3c(=O)n2-c2ccccc2)cc1
Show InChI InChI=1S/C22H17ClN2O2S/c1-27-18-10-7-15(8-11-18)14-28-22-24-20-12-9-16(23)13-19(20)21(26)25(22)17-5-3-2-4-6-17/h2-13H,14H2,1H3
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n/an/a 20n/an/an/an/an/an/a



Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH


Bioorg Med Chem Lett 26: 4815-4823 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.022
BindingDB Entry DOI: 10.7270/Q2GX4DHG
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50196288
PNG
(CHEMBL3959539)
Show SMILES COc1ccc(CSc2nc3ccc(Cl)cc3c(=O)n2-c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C23H19ClN2O3S/c1-28-18-8-3-15(4-9-18)14-30-23-25-21-12-5-16(24)13-20(21)22(27)26(23)17-6-10-19(29-2)11-7-17/h3-13H,14H2,1-2H3
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Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH


Bioorg Med Chem Lett 26: 4815-4823 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.022
BindingDB Entry DOI: 10.7270/Q2GX4DHG
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50196285
PNG
(CHEMBL3932469)
Show SMILES COc1ccc(CSc2nc3ccc(C)cc3c(=O)n2-c2ccccc2)cc1
Show InChI InChI=1S/C23H20N2O2S/c1-16-8-13-21-20(14-16)22(26)25(18-6-4-3-5-7-18)23(24-21)28-15-17-9-11-19(27-2)12-10-17/h3-14H,15H2,1-2H3
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n/an/a 100n/an/an/an/an/an/a



Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH


Bioorg Med Chem Lett 26: 4815-4823 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.022
BindingDB Entry DOI: 10.7270/Q2GX4DHG
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50196279
PNG
(CHEMBL3946592)
Show SMILES COc1cc(CSc2nc3ccc(Cl)cc3c(=O)n2-c2ccccc2OC)cc(OC)c1OC
Show InChI InChI=1S/C25H23ClN2O5S/c1-30-20-8-6-5-7-19(20)28-24(29)17-13-16(26)9-10-18(17)27-25(28)34-14-15-11-21(31-2)23(33-4)22(12-15)32-3/h5-13H,14H2,1-4H3
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Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH


Bioorg Med Chem Lett 26: 4815-4823 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.022
BindingDB Entry DOI: 10.7270/Q2GX4DHG
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50196313
PNG
(CHEMBL3914501)
Show SMILES COc1ccc(CSc2nc3ccc(C)cc3c(=O)n2-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C23H19ClN2O2S/c1-15-3-12-21-20(13-15)22(27)26(18-8-6-17(24)7-9-18)23(25-21)29-14-16-4-10-19(28-2)11-5-16/h3-13H,14H2,1-2H3
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Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH


Bioorg Med Chem Lett 26: 4815-4823 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.022
BindingDB Entry DOI: 10.7270/Q2GX4DHG
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50196294
PNG
(CHEMBL3947042)
Show SMILES COc1ccc(CSc2nc3cc(OC)c(OC)cc3c(=O)n2-c2ccc(OC)cc2OC)cc1
Show InChI InChI=1S/C26H26N2O6S/c1-30-17-8-6-16(7-9-17)15-35-26-27-20-14-24(34-5)23(33-4)13-19(20)25(29)28(26)21-11-10-18(31-2)12-22(21)32-3/h6-14H,15H2,1-5H3
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Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH


Bioorg Med Chem Lett 26: 4815-4823 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.022
BindingDB Entry DOI: 10.7270/Q2GX4DHG
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50196306
PNG
(CHEMBL3973809)
Show SMILES COc1ccc(CSc2nc3cc(OC)c(OC)cc3c(=O)n2-c2ccccc2OC)cc1
Show InChI InChI=1S/C25H24N2O5S/c1-29-17-11-9-16(10-12-17)15-33-25-26-19-14-23(32-4)22(31-3)13-18(19)24(28)27(25)20-7-5-6-8-21(20)30-2/h5-14H,15H2,1-4H3
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Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH


Bioorg Med Chem Lett 26: 4815-4823 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.022
BindingDB Entry DOI: 10.7270/Q2GX4DHG
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50196283
PNG
(CHEMBL3942503)
Show SMILES COc1ccc(CSc2nc3ccc(C)cc3c(=O)n2-c2ccc(OC)cc2OC)cc1
Show InChI InChI=1S/C25H24N2O4S/c1-16-5-11-21-20(13-16)24(28)27(22-12-10-19(30-3)14-23(22)31-4)25(26-21)32-15-17-6-8-18(29-2)9-7-17/h5-14H,15H2,1-4H3
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n/an/a 700n/an/an/an/an/an/a



Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH


Bioorg Med Chem Lett 26: 4815-4823 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.022
BindingDB Entry DOI: 10.7270/Q2GX4DHG
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50196310
PNG
(CHEMBL3945396)
Show SMILES COc1ccc(CSc2nc3ccc(Cl)cc3c(=O)n2-c2ccccc2OC)cc1
Show InChI InChI=1S/C23H19ClN2O3S/c1-28-17-10-7-15(8-11-17)14-30-23-25-19-12-9-16(24)13-18(19)22(27)26(23)20-5-3-4-6-21(20)29-2/h3-13H,14H2,1-2H3
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Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH


Bioorg Med Chem Lett 26: 4815-4823 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.022
BindingDB Entry DOI: 10.7270/Q2GX4DHG
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50196301
PNG
(CHEMBL3919828)
Show SMILES COc1cc(CSc2nc3cc(OC)c(OC)cc3c(=O)n2-c2ccccc2OC)cc(OC)c1OC
Show InChI InChI=1S/C27H28N2O7S/c1-31-20-10-8-7-9-19(20)29-26(30)17-13-21(32-2)22(33-3)14-18(17)28-27(29)37-15-16-11-23(34-4)25(36-6)24(12-16)35-5/h7-14H,15H2,1-6H3
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Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH


Bioorg Med Chem Lett 26: 4815-4823 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.022
BindingDB Entry DOI: 10.7270/Q2GX4DHG
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50196298
PNG
(CHEMBL3965080)
Show SMILES COc1cc(CSc2nc3ccc(Cl)cc3c(=O)n2-c2ccccc2)cc(OC)c1OC
Show InChI InChI=1S/C24H21ClN2O4S/c1-29-20-11-15(12-21(30-2)22(20)31-3)14-32-24-26-19-10-9-16(25)13-18(19)23(28)27(24)17-7-5-4-6-8-17/h4-13H,14H2,1-3H3
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n/an/a 800n/an/an/an/an/an/a



Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH


Bioorg Med Chem Lett 26: 4815-4823 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.022
BindingDB Entry DOI: 10.7270/Q2GX4DHG
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50196282
PNG
(CHEMBL3920434)
Show SMILES COc1ccc(CSc2nc3cc(OC)c(OC)cc3c(=O)n2Cc2ccccc2)cc1
Show InChI InChI=1S/C25H24N2O4S/c1-29-19-11-9-18(10-12-19)16-32-25-26-21-14-23(31-3)22(30-2)13-20(21)24(28)27(25)15-17-7-5-4-6-8-17/h4-14H,15-16H2,1-3H3
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n/an/a 800n/an/an/an/an/an/a



Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH


Bioorg Med Chem Lett 26: 4815-4823 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.022
BindingDB Entry DOI: 10.7270/Q2GX4DHG
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50196293
PNG
(CHEMBL3944367)
Show SMILES COc1ccc(CSc2nc3cc(OC)c(OC)cc3c(=O)n2-c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C25H24N2O5S/c1-29-18-9-5-16(6-10-18)15-33-25-26-21-14-23(32-4)22(31-3)13-20(21)24(28)27(25)17-7-11-19(30-2)12-8-17/h5-14H,15H2,1-4H3
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n/an/a 800n/an/an/an/an/an/a



Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH


Bioorg Med Chem Lett 26: 4815-4823 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.022
BindingDB Entry DOI: 10.7270/Q2GX4DHG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bos taurus (Cattle))
BDBM50196319
PNG
(CHEMBL3910321)
Show SMILES COc1cc(CSc2nc3ccc(C)cc3c(=O)n2-c2ccc(Cl)cc2)cc(OC)c1OC
Show InChI InChI=1S/C25H23ClN2O4S/c1-15-5-10-20-19(11-15)24(29)28(18-8-6-17(26)7-9-18)25(27-20)33-14-16-12-21(30-2)23(32-4)22(13-16)31-3/h5-13H,14H2,1-4H3
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n/an/a 900n/an/an/an/an/an/a



Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH


Bioorg Med Chem Lett 26: 4815-4823 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.022
BindingDB Entry DOI: 10.7270/Q2GX4DHG
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50196304
PNG
(CHEMBL3959977)
Show SMILES COc1cc(CSc2nc3cc(OC)c(OC)cc3c(=O)n2-c2ccc(Cl)cc2)cc(OC)c1OC
Show InChI InChI=1S/C26H25ClN2O6S/c1-31-20-12-18-19(13-21(20)32-2)28-26(29(25(18)30)17-8-6-16(27)7-9-17)36-14-15-10-22(33-3)24(35-5)23(11-15)34-4/h6-13H,14H2,1-5H3
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Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH


Bioorg Med Chem Lett 26: 4815-4823 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.022
BindingDB Entry DOI: 10.7270/Q2GX4DHG
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50196307
PNG
(CHEMBL3928739)
Show SMILES COc1cc(CSc2nc3cc(OC)c(OC)cc3c(=O)n2-c2ccccc2)cc(OC)c1OC
Show InChI InChI=1S/C26H26N2O6S/c1-30-20-13-18-19(14-21(20)31-2)27-26(28(25(18)29)17-9-7-6-8-10-17)35-15-16-11-22(32-3)24(34-5)23(12-16)33-4/h6-14H,15H2,1-5H3
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Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH


Bioorg Med Chem Lett 26: 4815-4823 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.022
BindingDB Entry DOI: 10.7270/Q2GX4DHG
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50196312
PNG
(CHEMBL3923521)
Show SMILES COc1ccc(CSc2nc3ccc(C)cc3c(=O)n2-c2ccccc2OC)cc1
Show InChI InChI=1S/C24H22N2O3S/c1-16-8-13-20-19(14-16)23(27)26(21-6-4-5-7-22(21)29-3)24(25-20)30-15-17-9-11-18(28-2)12-10-17/h4-14H,15H2,1-3H3
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n/an/a 900n/an/an/an/an/an/a



Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH


Bioorg Med Chem Lett 26: 4815-4823 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.022
BindingDB Entry DOI: 10.7270/Q2GX4DHG
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50196314
PNG
(CHEMBL3926487)
Show SMILES COc1ccc(CSc2nc3ccc(Cl)cc3c(=O)n2-c2ccc(OC)cc2OC)cc1
Show InChI InChI=1S/C24H21ClN2O4S/c1-29-17-7-4-15(5-8-17)14-32-24-26-20-10-6-16(25)12-19(20)23(28)27(24)21-11-9-18(30-2)13-22(21)31-3/h4-13H,14H2,1-3H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH


Bioorg Med Chem Lett 26: 4815-4823 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.022
BindingDB Entry DOI: 10.7270/Q2GX4DHG
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50196286
PNG
(CHEMBL3908563)
Show SMILES COc1ccc(CSc2nc3ccc(C)cc3c(=O)n2-c2ccc(C)cc2)cc1
Show InChI InChI=1S/C24H22N2O2S/c1-16-4-9-19(10-5-16)26-23(27)21-14-17(2)6-13-22(21)25-24(26)29-15-18-7-11-20(28-3)12-8-18/h4-14H,15H2,1-3H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH


Bioorg Med Chem Lett 26: 4815-4823 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.022
BindingDB Entry DOI: 10.7270/Q2GX4DHG
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50196303
PNG
(CHEMBL3976463)
Show SMILES COc1cc(CSc2nc3ccc(C)cc3c(=O)n2Cc2ccccc2)cc(OC)c1OC
Show InChI InChI=1S/C26H26N2O4S/c1-17-10-11-21-20(12-17)25(29)28(15-18-8-6-5-7-9-18)26(27-21)33-16-19-13-22(30-2)24(32-4)23(14-19)31-3/h5-14H,15-16H2,1-4H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH


Bioorg Med Chem Lett 26: 4815-4823 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.022
BindingDB Entry DOI: 10.7270/Q2GX4DHG
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50196296
PNG
(CHEMBL3936767)
Show SMILES COc1cc(CSc2nc3ccc(C)cc3c(=O)n2-c2ccccc2OC)cc(OC)c1OC
Show InChI InChI=1S/C26H26N2O5S/c1-16-10-11-19-18(12-16)25(29)28(20-8-6-7-9-21(20)30-2)26(27-19)34-15-17-13-22(31-3)24(33-5)23(14-17)32-4/h6-14H,15H2,1-5H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH


Bioorg Med Chem Lett 26: 4815-4823 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.022
BindingDB Entry DOI: 10.7270/Q2GX4DHG
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50196302
PNG
(CHEMBL3948250)
Show SMILES COc1ccc(CSc2nc3ccc(Cl)cc3c(=O)n2Cc2ccccc2)cc1
Show InChI InChI=1S/C23H19ClN2O2S/c1-28-19-10-7-17(8-11-19)15-29-23-25-21-12-9-18(24)13-20(21)22(27)26(23)14-16-5-3-2-4-6-16/h2-13H,14-15H2,1H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH


Bioorg Med Chem Lett 26: 4815-4823 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.022
BindingDB Entry DOI: 10.7270/Q2GX4DHG
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50196281
PNG
(CHEMBL3906790)
Show SMILES COc1cc(CSc2nc3cc(OC)c(OC)cc3c(=O)n2-c2ccc(C)cc2)cc(OC)c1OC
Show InChI InChI=1S/C27H28N2O6S/c1-16-7-9-18(10-8-16)29-26(30)19-13-21(31-2)22(32-3)14-20(19)28-27(29)36-15-17-11-23(33-4)25(35-6)24(12-17)34-5/h7-14H,15H2,1-6H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH


Bioorg Med Chem Lett 26: 4815-4823 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.022
BindingDB Entry DOI: 10.7270/Q2GX4DHG
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50196280
PNG
(CHEMBL3891775)
Show SMILES COc1ccc(cc1)-n1c(SCc2cc(OC)c(OC)c(OC)c2)nc2cc(OC)c(OC)cc2c1=O
Show InChI InChI=1S/C27H28N2O7S/c1-31-18-9-7-17(8-10-18)29-26(30)19-13-21(32-2)22(33-3)14-20(19)28-27(29)37-15-16-11-23(34-4)25(36-6)24(12-16)35-5/h7-14H,15H2,1-6H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH


Bioorg Med Chem Lett 26: 4815-4823 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.022
BindingDB Entry DOI: 10.7270/Q2GX4DHG
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50196305
PNG
(CHEMBL3951235)
Show SMILES COc1ccc(CSc2nc3ccc(C)cc3c(=O)n2-c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C24H22N2O3S/c1-16-4-13-22-21(14-16)23(27)26(18-7-11-20(29-3)12-8-18)24(25-22)30-15-17-5-9-19(28-2)10-6-17/h4-14H,15H2,1-3H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH


Bioorg Med Chem Lett 26: 4815-4823 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.022
BindingDB Entry DOI: 10.7270/Q2GX4DHG
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50196297
PNG
(CHEMBL3962703)
Show SMILES COc1cc(CSc2nc3ccc(C)cc3c(=O)n2-c2ccc(C)cc2)cc(OC)c1OC
Show InChI InChI=1S/C26H26N2O4S/c1-16-6-9-19(10-7-16)28-25(29)20-12-17(2)8-11-21(20)27-26(28)33-15-18-13-22(30-3)24(32-5)23(14-18)31-4/h6-14H,15H2,1-5H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH


Bioorg Med Chem Lett 26: 4815-4823 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.022
BindingDB Entry DOI: 10.7270/Q2GX4DHG
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50196300
PNG
(CHEMBL3937758)
Show SMILES COc1cc(CSc2nc3ccc(Cl)cc3c(=O)n2-c2ccc(Cl)cc2)cc(OC)c1OC
Show InChI InChI=1S/C24H20Cl2N2O4S/c1-30-20-10-14(11-21(31-2)22(20)32-3)13-33-24-27-19-9-6-16(26)12-18(19)23(29)28(24)17-7-4-15(25)5-8-17/h4-12H,13H2,1-3H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH


Bioorg Med Chem Lett 26: 4815-4823 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.022
BindingDB Entry DOI: 10.7270/Q2GX4DHG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bos taurus (Cattle))
BDBM50196317
PNG
(CHEMBL3955772)
Show SMILES COc1ccc(CSc2nc3cc(OC)c(OC)cc3c(=O)n2-c2ccc(C)cc2)cc1
Show InChI InChI=1S/C25H24N2O4S/c1-16-5-9-18(10-6-16)27-24(28)20-13-22(30-3)23(31-4)14-21(20)26-25(27)32-15-17-7-11-19(29-2)12-8-17/h5-14H,15H2,1-4H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH


Bioorg Med Chem Lett 26: 4815-4823 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.022
BindingDB Entry DOI: 10.7270/Q2GX4DHG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bos taurus (Cattle))
BDBM50196318
PNG
(CHEMBL3967941)
Show SMILES COc1cc(CSc2nc3cc(OC)c(OC)cc3c(=O)n2Cc2ccccc2)cc(OC)c1OC
Show InChI InChI=1S/C27H28N2O6S/c1-31-21-13-19-20(14-22(21)32-2)28-27(29(26(19)30)15-17-9-7-6-8-10-17)36-16-18-11-23(33-3)25(35-5)24(12-18)34-4/h6-14H,15-16H2,1-5H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH


Bioorg Med Chem Lett 26: 4815-4823 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.022
BindingDB Entry DOI: 10.7270/Q2GX4DHG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bos taurus (Cattle))
BDBM50196322
PNG
(CHEMBL3918757)
Show SMILES COc1ccc(cc1)-n1c(SCc2cc(OC)c(OC)c(OC)c2)nc2ccc(Cl)cc2c1=O
Show InChI InChI=1S/C25H23ClN2O5S/c1-30-18-8-6-17(7-9-18)28-24(29)19-13-16(26)5-10-20(19)27-25(28)34-14-15-11-21(31-2)23(33-4)22(12-15)32-3/h5-13H,14H2,1-4H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH


Bioorg Med Chem Lett 26: 4815-4823 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.022
BindingDB Entry DOI: 10.7270/Q2GX4DHG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bos taurus (Cattle))
BDBM50196315
PNG
(CHEMBL3900754)
Show SMILES COc1cc(CSc2nc3ccc(Cl)cc3c(=O)n2-c2ccc(C)cc2)cc(OC)c1OC
Show InChI InChI=1S/C25H23ClN2O4S/c1-15-5-8-18(9-6-15)28-24(29)19-13-17(26)7-10-20(19)27-25(28)33-14-16-11-21(30-2)23(32-4)22(12-16)31-3/h5-13H,14H2,1-4H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH


Bioorg Med Chem Lett 26: 4815-4823 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.022
BindingDB Entry DOI: 10.7270/Q2GX4DHG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bos taurus (Cattle))
BDBM50196321
PNG
(CHEMBL3938255)
Show SMILES COc1ccc(c(OC)c1)-n1c(SCc2cc(OC)c(OC)c(OC)c2)nc2ccc(C)cc2c1=O
Show InChI InChI=1S/C27H28N2O6S/c1-16-7-9-20-19(11-16)26(30)29(21-10-8-18(31-2)14-22(21)32-3)27(28-20)36-15-17-12-23(33-4)25(35-6)24(13-17)34-5/h7-14H,15H2,1-6H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH


Bioorg Med Chem Lett 26: 4815-4823 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.022
BindingDB Entry DOI: 10.7270/Q2GX4DHG
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50196290
PNG
(CHEMBL3954127)
Show SMILES COc1ccc(CSc2nc3ccc(Cl)cc3c(=O)n2-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H16Cl2N2O2S/c1-28-18-9-2-14(3-10-18)13-29-22-25-20-11-6-16(24)12-19(20)21(27)26(22)17-7-4-15(23)5-8-17/h2-12H,13H2,1H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH


Bioorg Med Chem Lett 26: 4815-4823 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.022
BindingDB Entry DOI: 10.7270/Q2GX4DHG
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50196284
PNG
(CHEMBL3890063)
Show SMILES COc1ccc(c(OC)c1)-n1c(SCc2cc(OC)c(OC)c(OC)c2)nc2cc(OC)c(OC)cc2c1=O
Show InChI InChI=1S/C28H30N2O8S/c1-32-17-8-9-20(21(12-17)33-2)30-27(31)18-13-22(34-3)23(35-4)14-19(18)29-28(30)39-15-16-10-24(36-5)26(38-7)25(11-16)37-6/h8-14H,15H2,1-7H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH


Bioorg Med Chem Lett 26: 4815-4823 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.022
BindingDB Entry DOI: 10.7270/Q2GX4DHG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bos taurus (Cattle))
BDBM50196316
PNG
(CHEMBL3962862)
Show SMILES COc1ccc(CSc2nc3cc(OC)c(OC)cc3c(=O)n2-c2ccccc2)cc1
Show InChI InChI=1S/C24H22N2O4S/c1-28-18-11-9-16(10-12-18)15-31-24-25-20-14-22(30-3)21(29-2)13-19(20)23(27)26(24)17-7-5-4-6-8-17/h4-14H,15H2,1-3H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH


Bioorg Med Chem Lett 26: 4815-4823 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.022
BindingDB Entry DOI: 10.7270/Q2GX4DHG
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50196299
PNG
(CHEMBL3909822)
Show SMILES COc1ccc(c(OC)c1)-n1c(SCc2cc(OC)c(OC)c(OC)c2)nc2ccc(Cl)cc2c1=O
Show InChI InChI=1S/C26H25ClN2O6S/c1-31-17-7-9-20(21(13-17)32-2)29-25(30)18-12-16(27)6-8-19(18)28-26(29)36-14-15-10-22(33-3)24(35-5)23(11-15)34-4/h6-13H,14H2,1-5H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH


Bioorg Med Chem Lett 26: 4815-4823 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.022
BindingDB Entry DOI: 10.7270/Q2GX4DHG
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50196292
PNG
(CHEMBL3935405)
Show SMILES COc1ccc(CSc2nc3ccc(Cl)cc3c(=O)n2-c2ccc(C)cc2)cc1
Show InChI InChI=1S/C23H19ClN2O2S/c1-15-3-8-18(9-4-15)26-22(27)20-13-17(24)7-12-21(20)25-23(26)29-14-16-5-10-19(28-2)11-6-16/h3-13H,14H2,1-2H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH


Bioorg Med Chem Lett 26: 4815-4823 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.022
BindingDB Entry DOI: 10.7270/Q2GX4DHG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Bos taurus (Cattle))
BDBM50196320
PNG
(CHEMBL3947164)
Show SMILES COc1cc(CSc2nc3ccc(Cl)cc3c(=O)n2Cc2ccccc2)cc(OC)c1OC
Show InChI InChI=1S/C25H23ClN2O4S/c1-30-21-11-17(12-22(31-2)23(21)32-3)15-33-25-27-20-10-9-18(26)13-19(20)24(29)28(25)14-16-7-5-4-6-8-16/h4-13H,14-15H2,1-3H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH


Bioorg Med Chem Lett 26: 4815-4823 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.022
BindingDB Entry DOI: 10.7270/Q2GX4DHG
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50196311
PNG
(CHEMBL3919247)
Show SMILES COc1ccc(CSc2nc3cc(OC)c(OC)cc3c(=O)n2-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C24H21ClN2O4S/c1-29-18-10-4-15(5-11-18)14-32-24-26-20-13-22(31-3)21(30-2)12-19(20)23(28)27(24)17-8-6-16(25)7-9-17/h4-13H,14H2,1-3H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH


Bioorg Med Chem Lett 26: 4815-4823 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.022
BindingDB Entry DOI: 10.7270/Q2GX4DHG
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50196308
PNG
(CHEMBL3928151)
Show SMILES COc1cc(CSc2nc3ccc(C)cc3c(=O)n2-c2ccccc2)cc(OC)c1OC
Show InChI InChI=1S/C25H24N2O4S/c1-16-10-11-20-19(12-16)24(28)27(18-8-6-5-7-9-18)25(26-20)32-15-17-13-21(29-2)23(31-4)22(14-17)30-3/h5-14H,15H2,1-4H3
PDB

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UniChem

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Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH


Bioorg Med Chem Lett 26: 4815-4823 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.022
BindingDB Entry DOI: 10.7270/Q2GX4DHG
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50196295
PNG
(CHEMBL3929211)
Show SMILES COc1ccc(cc1)-n1c(SCc2cc(OC)c(OC)c(OC)c2)nc2ccc(C)cc2c1=O
Show InChI InChI=1S/C26H26N2O5S/c1-16-6-11-21-20(12-16)25(29)28(18-7-9-19(30-2)10-8-18)26(27-21)34-15-17-13-22(31-3)24(33-5)23(14-17)32-4/h6-14H,15H2,1-5H3
PDB

UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Mansoura University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR preincubated for 2 mins followed by addition of FH2 as substrate and NADPH


Bioorg Med Chem Lett 26: 4815-4823 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.022
BindingDB Entry DOI: 10.7270/Q2GX4DHG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%