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Compile Data Set for Download or QSAR

Found 118 hits with Last Name = 'al-rashood' and Initial = 'st'   
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))
BDBM50448052
PNG
(CHEMBL3115740)
Show SMILES COc1ccc(C=C2CCCC3C2=Nc2cc(C)c(C)cc2N=C3c2ccc(OC)c(OC)c2)cc1OC
Show InChI InChI=1S/C32H34N2O4/c1-19-14-25-26(15-20(19)2)34-32(23-11-13-28(36-4)30(18-23)38-6)24-9-7-8-22(31(24)33-25)16-21-10-12-27(35-3)29(17-21)37-5/h10-18,24H,7-9H2,1-6H3
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n/an/a 4n/an/an/an/an/an/a



Future University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR measured for every 1 min of 10 mins


Eur J Med Chem 74: 234-45 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.004
BindingDB Entry DOI: 10.7270/Q2J67JD9
More data for this
Ligand-Target Pair
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



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR


Bioorg Med Chem Lett 24: 4557-67 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.070
BindingDB Entry DOI: 10.7270/Q2CZ38TW
More data for this
Ligand-Target Pair
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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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))
BDBM50438444
PNG
(CHEMBL2414370)
Show SMILES COc1ccc(c(OC)c1)-n1c(n[nH]c1=S)-c1csc(NC(=S)Nc2ccccc2)n1
Show InChI InChI=1S/C20H18N6O2S3/c1-27-13-8-9-15(16(10-13)28-2)26-17(24-25-20(26)30)14-11-31-19(22-14)23-18(29)21-12-6-4-3-5-7-12/h3-11H,1-2H3,(H,25,30)(H2,21,22,23,29)
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n/an/a 30n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR measured every 1 min for 10 mins


Eur J Med Chem 66: 135-45 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.039
BindingDB Entry DOI: 10.7270/Q21C1Z9Q
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50448057
PNG
(CHEMBL3115735)
Show SMILES COc1ccc(C=C2CCCC3C2=Nc2ccccc2N=C3c2ccc(OC)c(OC)c2)cc1OC
Show InChI InChI=1S/C30H30N2O4/c1-33-25-14-12-19(17-27(25)35-3)16-20-8-7-9-22-29(20)31-23-10-5-6-11-24(23)32-30(22)21-13-15-26(34-2)28(18-21)36-4/h5-6,10-18,22H,7-9H2,1-4H3
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n/an/a 60n/an/an/an/an/an/a



Future University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR measured for every 1 min of 10 mins


Eur J Med Chem 74: 234-45 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.004
BindingDB Entry DOI: 10.7270/Q2J67JD9
More data for this
Ligand-Target Pair
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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Future University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR measured for every 1 min of 10 mins


Eur J Med Chem 74: 234-45 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.004
BindingDB Entry DOI: 10.7270/Q2J67JD9
More data for this
Ligand-Target Pair
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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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR measured every 1 min for 10 mins


Eur J Med Chem 66: 135-45 (2013)


Article DOI: 10.1016/j.ejmech.2013.05.039
BindingDB Entry DOI: 10.7270/Q21C1Z9Q
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50448056
PNG
(CHEMBL3115736)
Show SMILES COc1cc(C=C2CCCC3C2=Nc2ccccc2N=C3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
Show InChI InChI=1S/C32H34N2O6/c1-35-25-15-19(16-26(36-2)31(25)39-5)14-20-10-9-11-22-29(20)33-23-12-7-8-13-24(23)34-30(22)21-17-27(37-3)32(40-6)28(18-21)38-4/h7-8,12-18,22H,9-11H2,1-6H3
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n/an/a 90n/an/an/an/an/an/a



Future University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR measured for every 1 min of 10 mins


Eur J Med Chem 74: 234-45 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.004
BindingDB Entry DOI: 10.7270/Q2J67JD9
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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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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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))
BDBM50448067
PNG
(CHEMBL3115730)
Show SMILES COc1ccc(\C=C2/CCCc3c2nc(C)nc3-c2ccc(OC)c(OC)c2)cc1OC
Show InChI InChI=1S/C26H28N2O4/c1-16-27-25-18(13-17-9-11-21(29-2)23(14-17)31-4)7-6-8-20(25)26(28-16)19-10-12-22(30-3)24(15-19)32-5/h9-15H,6-8H2,1-5H3/b18-13+
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Future University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR measured for every 1 min of 10 mins


Eur J Med Chem 74: 234-45 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.004
BindingDB Entry DOI: 10.7270/Q2J67JD9
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50448053
PNG
(CHEMBL3115739)
Show SMILES COc1ccc(C=C2CCCC3C2=Nc2cc(C)c(C)cc2N=C3c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C30H30N2O2/c1-19-16-27-28(17-20(19)2)32-30-23(18-21-8-12-24(33-3)13-9-21)6-5-7-26(30)29(31-27)22-10-14-25(34-4)15-11-22/h8-18,26H,5-7H2,1-4H3
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Future University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR measured for every 1 min of 10 mins


Eur J Med Chem 74: 234-45 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.004
BindingDB Entry DOI: 10.7270/Q2J67JD9
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50448050
PNG
(CHEMBL3115742)
Show SMILES Clc1cc2N=C3C(CCCC3=Cc3ccc(Br)cc3)C(=Nc2cc1Cl)c1ccc(Br)cc1
Show InChI InChI=1S/C26H18Br2Cl2N2/c27-18-8-4-15(5-9-18)12-17-2-1-3-20-25(16-6-10-19(28)11-7-16)31-23-13-21(29)22(30)14-24(23)32-26(17)20/h4-14,20H,1-3H2
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Future University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR measured for every 1 min of 10 mins


Eur J Med Chem 74: 234-45 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.004
BindingDB Entry DOI: 10.7270/Q2J67JD9
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50058706
PNG
(CHEMBL3326813)
Show SMILES Cc1ccc2nc(Sc3nnc(N)s3)n(-c3ccc(Oc4ccccc4)cc3)c(=O)c2c1
Show InChI InChI=1S/C23H17N5O2S2/c1-14-7-12-19-18(13-14)20(29)28(22(25-19)32-23-27-26-21(24)31-23)15-8-10-17(11-9-15)30-16-5-3-2-4-6-16/h2-13H,1H3,(H2,24,26)
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR


Bioorg Med Chem Lett 24: 4557-67 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.070
BindingDB Entry DOI: 10.7270/Q2CZ38TW
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))
BDBM50448059
PNG
(CHEMBL3115733)
Show SMILES Clc1ccc(C=C2CCCC3C2=Nc2ccccc2N=C3c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C26H20Cl2N2/c27-20-12-8-17(9-13-20)16-19-4-3-5-22-25(18-10-14-21(28)15-11-18)29-23-6-1-2-7-24(23)30-26(19)22/h1-2,6-16,22H,3-5H2
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Future University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR measured for every 1 min of 10 mins


Eur J Med Chem 74: 234-45 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.004
BindingDB Entry DOI: 10.7270/Q2J67JD9
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50432816
PNG
(CHEMBL2376081)
Show SMILES CCOC(=O)c1nc(N)sc1Sc1nc2cc(OC)c(OC)cc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C22H20N4O5S2/c1-4-31-19(28)17-20(32-21(23)25-17)33-22-24-14-11-16(30-3)15(29-2)10-13(14)18(27)26(22)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H2,23,25)
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n/an/a 300n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR


Bioorg Med Chem Lett 24: 4557-67 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.070
BindingDB Entry DOI: 10.7270/Q2CZ38TW
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50058696
PNG
(CHEMBL3326818)
Show SMILES Nc1nnc(Sc2nc3ccc(Cl)cc3c(=O)n2-c2ccc(Oc3ccccc3)cc2)s1
Show InChI InChI=1S/C22H14ClN5O2S2/c23-13-6-11-18-17(12-13)19(29)28(21(25-18)32-22-27-26-20(24)31-22)14-7-9-16(10-8-14)30-15-4-2-1-3-5-15/h1-12H,(H2,24,26)
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n/an/a 400n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR


Bioorg Med Chem Lett 24: 4557-67 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.070
BindingDB Entry DOI: 10.7270/Q2CZ38TW
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50432810
PNG
(CHEMBL2376069)
Show SMILES COc1cc2nc(Sc3cnc(N)s3)n(-c3ccccc3)c(=O)c2cc1OC
Show InChI InChI=1S/C19H16N4O3S2/c1-25-14-8-12-13(9-15(14)26-2)22-19(28-16-10-21-18(20)27-16)23(17(12)24)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,20,21)
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n/an/a 500n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR


Bioorg Med Chem Lett 24: 4557-67 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.070
BindingDB Entry DOI: 10.7270/Q2CZ38TW
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50448066
PNG
(CHEMBL3115731)
Show SMILES COc1cc(\C=C2/CCCc3c2nc(C)nc3-c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
Show InChI InChI=1S/C28H32N2O6/c1-16-29-25-18(11-17-12-21(31-2)27(35-6)22(13-17)32-3)9-8-10-20(25)26(30-16)19-14-23(33-4)28(36-7)24(15-19)34-5/h11-15H,8-10H2,1-7H3/b18-11+
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n/an/a 500n/an/an/an/an/an/a



Future University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR measured for every 1 min of 10 mins


Eur J Med Chem 74: 234-45 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.004
BindingDB Entry DOI: 10.7270/Q2J67JD9
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50058709
PNG
(CHEMBL3326823)
Show SMILES COc1cc2nc(Sc3nnc(N)s3)n(-c3ccc(Oc4ccccc4)cc3)c(=O)c2cc1OC
Show InChI InChI=1S/C24H19N5O4S2/c1-31-19-12-17-18(13-20(19)32-2)26-23(35-24-28-27-22(25)34-24)29(21(17)30)14-8-10-16(11-9-14)33-15-6-4-3-5-7-15/h3-13H,1-2H3,(H2,25,27)
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n/an/a 600n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR


Bioorg Med Chem Lett 24: 4557-67 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.070
BindingDB Entry DOI: 10.7270/Q2CZ38TW
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50448058
PNG
(CHEMBL3115734)
Show SMILES COc1ccc(C=C2CCCC3C2=Nc2ccccc2N=C3c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C28H26N2O2/c1-31-22-14-10-19(11-15-22)18-21-6-5-7-24-27(20-12-16-23(32-2)17-13-20)29-25-8-3-4-9-26(25)30-28(21)24/h3-4,8-18,24H,5-7H2,1-2H3
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n/an/a 600n/an/an/an/an/an/a



Future University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR measured for every 1 min of 10 mins


Eur J Med Chem 74: 234-45 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.004
BindingDB Entry DOI: 10.7270/Q2J67JD9
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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n/an/a 600n/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))
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))
BDBM50058705
PNG
(CHEMBL3326812)
Show SMILES Cc1ccc2nc(Sc3nnc(N)s3)n(-c3ccc(Cl)cc3)c(=O)c2c1
Show InChI InChI=1S/C17H12ClN5OS2/c1-9-2-7-13-12(8-9)14(24)23(11-5-3-10(18)4-6-11)16(20-13)26-17-22-21-15(19)25-17/h2-8H,1H3,(H2,19,21)
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n/an/a 700n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR


Bioorg Med Chem Lett 24: 4557-67 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.070
BindingDB Entry DOI: 10.7270/Q2CZ38TW
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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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))
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))
BDBM50432814
PNG
(CHEMBL2376066)
Show SMILES Cc1ccc2nc(Sc3cnc(N)s3)n(-c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C18H14N4OS2/c1-11-7-8-14-13(9-11)16(23)22(12-5-3-2-4-6-12)18(21-14)25-15-10-20-17(19)24-15/h2-10H,1H3,(H2,19,20)
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n/an/a 800n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR


Bioorg Med Chem Lett 24: 4557-67 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.070
BindingDB Entry DOI: 10.7270/Q2CZ38TW
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50058704
PNG
(CHEMBL3326816)
Show SMILES COc1ccc(cc1)-n1c(Sc2nnc(N)s2)nc2ccc(Cl)cc2c1=O
Show InChI InChI=1S/C17H12ClN5O2S2/c1-25-11-5-3-10(4-6-11)23-14(24)12-8-9(18)2-7-13(12)20-16(23)27-17-22-21-15(19)26-17/h2-8H,1H3,(H2,19,21)
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n/an/a 800n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR


Bioorg Med Chem Lett 24: 4557-67 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.070
BindingDB Entry DOI: 10.7270/Q2CZ38TW
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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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 (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))
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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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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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


(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))
BDBM50058726
PNG
(CHEMBL3326843)
Show SMILES COc1ccc(cc1)-n1c(Sc2sc(N)nc2C)nc2cc(OC)c(OC)cc2c1=O
Show InChI InChI=1S/C21H20N4O4S2/c1-11-19(30-20(22)23-11)31-21-24-15-10-17(29-4)16(28-3)9-14(15)18(26)25(21)12-5-7-13(27-2)8-6-12/h5-10H,1-4H3,(H2,22,23)
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n/an/a 1.00E+3n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR


Bioorg Med Chem Lett 24: 4557-67 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.070
BindingDB Entry DOI: 10.7270/Q2CZ38TW
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))
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))
BDBM50058695
PNG
(CHEMBL3326817)
Show SMILES Nc1nnc(Sc2nc3ccc(Cl)cc3c(=O)n2-c2ccc(Cl)cc2)s1
Show InChI InChI=1S/C16H9Cl2N5OS2/c17-8-1-4-10(5-2-8)23-13(24)11-7-9(18)3-6-12(11)20-15(23)26-16-22-21-14(19)25-16/h1-7H,(H2,19,21)
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n/an/a 1.00E+3n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR


Bioorg Med Chem Lett 24: 4557-67 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.070
BindingDB Entry DOI: 10.7270/Q2CZ38TW
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50058698
PNG
(CHEMBL3326820)
Show SMILES COc1cc2nc(Sc3nnc(N)s3)n(-c3ccc(C)cc3)c(=O)c2cc1OC
Show InChI InChI=1S/C19H17N5O3S2/c1-10-4-6-11(7-5-10)24-16(25)12-8-14(26-2)15(27-3)9-13(12)21-18(24)29-19-23-22-17(20)28-19/h4-9H,1-3H3,(H2,20,22)
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n/an/a 1.00E+3n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR


Bioorg Med Chem Lett 24: 4557-67 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.070
BindingDB Entry DOI: 10.7270/Q2CZ38TW
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50448051
PNG
(CHEMBL3115741)
Show SMILES COc1cc(C=C2CCCC3C2=Nc2cc(C)c(C)cc2N=C3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
Show InChI InChI=1S/C34H38N2O6/c1-19-12-25-26(13-20(19)2)36-32(23-17-29(39-5)34(42-8)30(18-23)40-6)24-11-9-10-22(31(24)35-25)14-21-15-27(37-3)33(41-7)28(16-21)38-4/h12-18,24H,9-11H2,1-8H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Future University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR measured for every 1 min of 10 mins


Eur J Med Chem 74: 234-45 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.004
BindingDB Entry DOI: 10.7270/Q2J67JD9
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Bos taurus (Cattle))
BDBM50058730
PNG
(CHEMBL3326840)
Show SMILES Cc1nc(N)sc1Sc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C24H17ClN4O2S2/c1-14-22(32-23(26)27-14)33-24-28-20-12-7-15(25)13-19(20)21(30)29(24)16-8-10-18(11-9-16)31-17-5-3-2-4-6-17/h2-13H,1H3,(H2,26,27)
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n/an/a 1.00E+3n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR


Bioorg Med Chem Lett 24: 4557-67 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.070
BindingDB Entry DOI: 10.7270/Q2CZ38TW
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
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