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PubMed code 25139568

Compile data set for download or QSAR
Found 40 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



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))
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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n/an/a 100n/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))
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))
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))
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))
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))
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))
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))
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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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))
BDBM50058723
PNG
(CHEMBL3326846)
Show SMILES Cc1ccc2nc(Sc3nnc(N)s3)n(Cc3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C18H15N5OS2/c1-11-7-8-14-13(9-11)15(24)23(10-12-5-3-2-4-6-12)17(20-14)26-18-22-21-16(19)25-18/h2-9H,10H2,1H3,(H2,19,21)
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n/an/a 2.00E+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))
BDBM50058702
PNG
(CHEMBL3326835)
Show SMILES Cc1nc(N)sc1Sc1nc2ccc(C)cc2c(=O)n1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H20N4O2S2/c1-15-8-13-21-20(14-15)22(30)29(25(28-21)33-23-16(2)27-24(26)32-23)17-9-11-19(12-10-17)31-18-6-4-3-5-7-18/h3-14H,1-2H3,(H2,26,27)
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n/an/a 2.00E+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))
BDBM50058719
PNG
(CHEMBL3326844)
Show SMILES COc1cc2nc(Sc3sc(N)nc3C)n(-c3ccc(Cl)cc3)c(=O)c2cc1OC
Show InChI InChI=1S/C20H17ClN4O3S2/c1-10-18(29-19(22)23-10)30-20-24-14-9-16(28-3)15(27-2)8-13(14)17(26)25(20)12-6-4-11(21)5-7-12/h4-9H,1-3H3,(H2,22,23)
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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))
BDBM50058699
PNG
(CHEMBL3326811)
Show SMILES COc1ccc(cc1)-n1c(Sc2nnc(N)s2)nc2ccc(C)cc2c1=O
Show InChI InChI=1S/C18H15N5O2S2/c1-10-3-8-14-13(9-10)15(24)23(11-4-6-12(25-2)7-5-11)17(20-14)27-18-22-21-16(19)26-18/h3-9H,1-2H3,(H2,19,21)
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n/an/a 3.00E+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))
BDBM50058714
PNG
(CHEMBL3326849)
Show SMILES Cc1nc(N)sc1Sc1nc2ccc(C)cc2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C20H18N4OS2/c1-12-8-9-16-15(10-12)17(25)24(11-14-6-4-3-5-7-14)20(23-16)27-18-13(2)22-19(21)26-18/h3-10H,11H2,1-2H3,(H2,21,22)
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n/an/a 5.00E+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))
BDBM50058710
PNG
(CHEMBL3326824)
Show SMILES Cc1nc(N)sc1Sc1nc2ccc(C)cc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C19H16N4OS2/c1-11-8-9-15-14(10-11)16(24)23(13-6-4-3-5-7-13)19(22-15)26-17-12(2)21-18(20)25-17/h3-10H,1-2H3,(H2,20,21)
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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))
BDBM50058729
PNG
(CHEMBL3326836)
Show SMILES Cc1nc(N)sc1Sc1nc2ccc(Cl)cc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C18H13ClN4OS2/c1-10-16(25-17(20)21-10)26-18-22-14-8-7-11(19)9-13(14)15(24)23(18)12-5-3-2-4-6-12/h2-9H,1H3,(H2,20,21)
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n/an/a 5.00E+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))
BDBM50058731
PNG
(CHEMBL3326837)
Show SMILES Cc1nc(N)sc1Sc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(C)cc1
Show InChI InChI=1S/C19H15ClN4OS2/c1-10-3-6-13(7-4-10)24-16(25)14-9-12(20)5-8-15(14)23-19(24)27-17-11(2)22-18(21)26-17/h3-9H,1-2H3,(H2,21,22)
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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))
BDBM50058717
PNG
(CHEMBL3326850)
Show SMILES Cc1nc(N)sc1Sc1nc2ccc(Cl)cc2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C19H15ClN4OS2/c1-11-17(26-18(21)22-11)27-19-23-15-8-7-13(20)9-14(15)16(25)24(19)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,21,22)
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n/an/a 5.00E+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))
BDBM50058713
PNG
(CHEMBL3326848)
Show SMILES COc1cc2nc(Sc3nnc(N)s3)n(Cc3ccccc3)c(=O)c2cc1OC
Show InChI InChI=1S/C19H17N5O3S2/c1-26-14-8-12-13(9-15(14)27-2)21-18(29-19-23-22-17(20)28-19)24(16(12)25)10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H2,20,22)
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n/an/a 6.00E+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))
BDBM50058707
PNG
(CHEMBL3326814)
Show SMILES Nc1nnc(Sc2nc3ccc(Cl)cc3c(=O)n2-c2ccccc2)s1
Show InChI InChI=1S/C16H10ClN5OS2/c17-9-6-7-12-11(8-9)13(23)22(10-4-2-1-3-5-10)15(19-12)25-16-21-20-14(18)24-16/h1-8H,(H2,18,20)
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n/an/a 6.00E+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))
BDBM50058722
PNG
(CHEMBL3326845)
Show SMILES COc1cc2nc(Sc3sc(N)nc3C)n(-c3ccc(Oc4ccccc4)cc3)c(=O)c2cc1OC
Show InChI InChI=1S/C26H22N4O4S2/c1-15-24(35-25(27)28-15)36-26-29-20-14-22(33-3)21(32-2)13-19(20)23(31)30(26)16-9-11-18(12-10-16)34-17-7-5-4-6-8-17/h4-14H,1-3H3,(H2,27,28)
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n/an/a 6.00E+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))
BDBM50058711
PNG
(CHEMBL3326851)
Show SMILES COc1cc2nc(Sc3sc(N)nc3C)n(Cc3ccccc3)c(=O)c2cc1OC
Show InChI InChI=1S/C21H20N4O3S2/c1-12-19(29-20(22)23-12)30-21-24-15-10-17(28-3)16(27-2)9-14(15)18(26)25(21)11-13-7-5-4-6-8-13/h4-10H,11H2,1-3H3,(H2,22,23)
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n/an/a 6.00E+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))
BDBM50058701
PNG
(CHEMBL3326822)
Show SMILES COc1cc2nc(Sc3nnc(N)s3)n(-c3ccc(Cl)cc3)c(=O)c2cc1OC
Show InChI InChI=1S/C18H14ClN5O3S2/c1-26-13-7-11-12(8-14(13)27-2)21-17(29-18-23-22-16(20)28-18)24(15(11)25)10-5-3-9(19)4-6-10/h3-8H,1-2H3,(H2,20,22)
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n/an/a 6.00E+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))
BDBM50058724
PNG
(CHEMBL3326841)
Show SMILES COc1cc2nc(Sc3sc(N)nc3C)n(-c3ccccc3)c(=O)c2cc1OC
Show InChI InChI=1S/C20H18N4O3S2/c1-11-18(28-19(21)22-11)29-20-23-14-10-16(27-3)15(26-2)9-13(14)17(25)24(20)12-7-5-4-6-8-12/h4-10H,1-3H3,(H2,21,22)
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n/an/a 7.00E+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))
BDBM50058718
PNG
(CHEMBL3326833)
Show SMILES COc1ccc(cc1)-n1c(Sc2sc(N)nc2C)nc2ccc(C)cc2c1=O
Show InChI InChI=1S/C20H18N4O2S2/c1-11-4-9-16-15(10-11)17(25)24(13-5-7-14(26-3)8-6-13)20(23-16)28-18-12(2)22-19(21)27-18/h4-10H,1-3H3,(H2,21,22)
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n/an/a 7.00E+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))
BDBM50058703
PNG
(CHEMBL3326834)
Show SMILES Cc1nc(N)sc1Sc1nc2ccc(C)cc2c(=O)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H15ClN4OS2/c1-10-3-8-15-14(9-10)16(25)24(13-6-4-12(20)5-7-13)19(23-15)27-17-11(2)22-18(21)26-17/h3-9H,1-2H3,(H2,21,22)
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n/an/a 7.00E+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))
BDBM50058716
PNG
(CHEMBL3326825)
Show SMILES Cc1nc(N)sc1Sc1nc2ccc(C)cc2c(=O)n1-c1ccc(C)cc1
Show InChI InChI=1S/C20H18N4OS2/c1-11-4-7-14(8-5-11)24-17(25)15-10-12(2)6-9-16(15)23-20(24)27-18-13(3)22-19(21)26-18/h4-10H,1-3H3,(H2,21,22)
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n/an/a 7.00E+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))
BDBM50058721
PNG
(CHEMBL3326809)
Show SMILES Cc1ccc2nc(Sc3nnc(N)s3)n(-c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C17H13N5OS2/c1-10-7-8-13-12(9-10)14(23)22(11-5-3-2-4-6-11)16(19-13)25-17-21-20-15(18)24-17/h2-9H,1H3,(H2,18,20)
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n/an/a 7.00E+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))
BDBM50058700
PNG
(CHEMBL3326821)
Show SMILES COc1ccc(cc1)-n1c(Sc2nnc(N)s2)nc2cc(OC)c(OC)cc2c1=O
Show InChI InChI=1S/C19H17N5O4S2/c1-26-11-6-4-10(5-7-11)24-16(25)12-8-14(27-2)15(28-3)9-13(12)21-18(24)30-19-23-22-17(20)29-19/h4-9H,1-3H3,(H2,20,22)
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n/an/a 7.00E+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))
BDBM50058727
PNG
(CHEMBL3326838)
Show SMILES COc1ccc(cc1)-n1c(Sc2sc(N)nc2C)nc2ccc(Cl)cc2c1=O
Show InChI InChI=1S/C19H15ClN4O2S2/c1-10-17(27-18(21)22-10)28-19-23-15-8-3-11(20)9-14(15)16(25)24(19)12-4-6-13(26-2)7-5-12/h3-9H,1-2H3,(H2,21,22)
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n/an/a 8.00E+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))
BDBM50058720
PNG
(CHEMBL3326810)
Show SMILES Cc1ccc(cc1)-n1c(Sc2nnc(N)s2)nc2ccc(C)cc2c1=O
Show InChI InChI=1S/C18H15N5OS2/c1-10-3-6-12(7-4-10)23-15(24)13-9-11(2)5-8-14(13)20-17(23)26-18-22-21-16(19)25-18/h3-9H,1-2H3,(H2,19,21)
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n/an/a 8.00E+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))
BDBM50058712
PNG
(CHEMBL3326847)
Show SMILES Nc1nnc(Sc2nc3ccc(Cl)cc3c(=O)n2Cc2ccccc2)s1
Show InChI InChI=1S/C17H12ClN5OS2/c18-11-6-7-13-12(8-11)14(24)23(9-10-4-2-1-3-5-10)16(20-13)26-17-22-21-15(19)25-17/h1-8H,9H2,(H2,19,21)
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n/an/a 8.00E+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))
BDBM50058708
PNG
(CHEMBL3326815)
Show SMILES Cc1ccc(cc1)-n1c(Sc2nnc(N)s2)nc2ccc(Cl)cc2c1=O
Show InChI InChI=1S/C17H12ClN5OS2/c1-9-2-5-11(6-3-9)23-14(24)12-8-10(18)4-7-13(12)20-16(23)26-17-22-21-15(19)25-17/h2-8H,1H3,(H2,19,21)
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n/an/a 8.00E+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))
BDBM50058725
PNG
(CHEMBL3326842)
Show SMILES COc1cc2nc(Sc3sc(N)nc3C)n(-c3ccc(C)cc3)c(=O)c2cc1OC
Show InChI InChI=1S/C21H20N4O3S2/c1-11-5-7-13(8-6-11)25-18(26)14-9-16(27-3)17(28-4)10-15(14)24-21(25)30-19-12(2)23-20(22)29-19/h5-10H,1-4H3,(H2,22,23)
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n/an/a 8.00E+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))
BDBM50058728
PNG
(CHEMBL3326839)
Show SMILES Cc1nc(N)sc1Sc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H12Cl2N4OS2/c1-9-16(26-17(21)22-9)27-18-23-14-7-4-11(20)8-13(14)15(25)24(18)12-5-2-10(19)3-6-12/h2-8H,1H3,(H2,21,22)
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n/an/a 8.00E+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))
BDBM50058697
PNG
(CHEMBL3326819)
Show SMILES COc1cc2nc(Sc3nnc(N)s3)n(-c3ccccc3)c(=O)c2cc1OC
Show InChI InChI=1S/C18H15N5O3S2/c1-25-13-8-11-12(9-14(13)26-2)20-17(28-18-22-21-16(19)27-18)23(15(11)24)10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,19,21)
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n/an/a 1.00E+4n/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
* indicates data uncertainty>20%