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Compile Data Set for Download or QSAR

Found 32 hits of ic50 for UniProtKB: P00378   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50226274
PNG
(CHEMBL3349020)
Show SMILES CC[C@H](Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H25N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,10-11,15H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,25,28,29)/t11-,15+/m1/s1
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n/an/a 19n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Chicken liver


J Med Chem 29: 1056-61 (1986)


Article DOI: 10.1021/jm00156a026
BindingDB Entry DOI: 10.7270/Q2P55MHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
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 19n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Chicken liver


J Med Chem 29: 1056-61 (1986)


Article DOI: 10.1021/jm00156a026
BindingDB Entry DOI: 10.7270/Q2P55MHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50004544
PNG
(2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-...)
Show SMILES CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H25N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,10-11,15H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,25,28,29)
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Chicken liver


J Med Chem 29: 1056-61 (1986)


Article DOI: 10.1021/jm00156a026
BindingDB Entry DOI: 10.7270/Q2P55MHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50405399
PNG
(CHEMBL2051989)
Show SMILES CC[C@H](CC1CNc2nc(N)nc(N)c2N1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H29N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,11,14-15,26H,2,7-10H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H5,23,24,25,28,29)/t11-,14?,15+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Chicken liver


J Med Chem 29: 1056-61 (1986)


Article DOI: 10.1021/jm00156a026
BindingDB Entry DOI: 10.7270/Q2P55MHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50405401
PNG
(CHEMBL2051990)
Show SMILES CC[C@@H](Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H25N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,10-11,15H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,25,28,29)/t11-,15-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Chicken liver


J Med Chem 29: 1056-61 (1986)


Article DOI: 10.1021/jm00156a026
BindingDB Entry DOI: 10.7270/Q2P55MHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50405398
PNG
(CHEMBL2051991)
Show SMILES CC[C@@H](CC1=Nc2c(N)nc(N)nc2NC1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H27N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,11,15H,2,7-10H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H5,23,24,25,28,29)/t11-,15-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Chicken liver


J Med Chem 29: 1056-61 (1986)


Article DOI: 10.1021/jm00156a026
BindingDB Entry DOI: 10.7270/Q2P55MHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50025007
PNG
(2-{4-[2-(2,4-Diamino-7,8-dihydro-pteridin-6-yl)-et...)
Show SMILES CCC(CC1=Nc2c(N)nc(N)nc2NC1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H27N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,11,15H,2,7-10H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H5,23,24,25,28,29)
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n/an/a 34n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Chicken liver


J Med Chem 29: 1056-61 (1986)


Article DOI: 10.1021/jm00156a026
BindingDB Entry DOI: 10.7270/Q2P55MHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50025008
PNG
(2-{4-[2-(2,4-Diamino-5,6,7,8-tetrahydro-pteridin-6...)
Show SMILES CCC(CC1CNc2nc(N)nc(N)c2N1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H29N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,11,14-15,26H,2,7-10H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H5,23,24,25,28,29)
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n/an/a 34n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Chicken liver


J Med Chem 29: 1056-61 (1986)


Article DOI: 10.1021/jm00156a026
BindingDB Entry DOI: 10.7270/Q2P55MHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50405398
PNG
(CHEMBL2051991)
Show SMILES CC[C@@H](CC1=Nc2c(N)nc(N)nc2NC1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H27N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,11,15H,2,7-10H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H5,23,24,25,28,29)/t11-,15-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Chicken liver


J Med Chem 29: 1056-61 (1986)


Article DOI: 10.1021/jm00156a026
BindingDB Entry DOI: 10.7270/Q2P55MHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50405399
PNG
(CHEMBL2051989)
Show SMILES CC[C@H](CC1CNc2nc(N)nc(N)c2N1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H29N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,11,14-15,26H,2,7-10H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H5,23,24,25,28,29)/t11-,14?,15+/m1/s1
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n/an/a 76n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Chicken liver


J Med Chem 29: 1056-61 (1986)


Article DOI: 10.1021/jm00156a026
BindingDB Entry DOI: 10.7270/Q2P55MHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
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 90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


J Med Chem 25: 475-7 (1982)


Article DOI: 10.1021/jm00346a026
BindingDB Entry DOI: 10.7270/Q2NP25QN
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50019388
PNG
(6-Amino-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-me...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCCCN)C(O)=O
Show InChI InChI=1S/C21H27N9O3/c1-30(11-13-10-25-18-16(26-13)17(23)28-21(24)29-18)14-7-5-12(6-8-14)19(31)27-15(20(32)33)4-2-3-9-22/h5-8,10,15H,2-4,9,11,22H2,1H3,(H,27,31)(H,32,33)(H4,23,24,25,28,29)
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n/an/a 130n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


J Med Chem 25: 475-7 (1982)


Article DOI: 10.1021/jm00346a026
BindingDB Entry DOI: 10.7270/Q2NP25QN
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50011886
PNG
(5-Amino-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-me...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCCN)C(O)=O
Show InChI InChI=1S/C20H25N9O3/c1-29(10-12-9-24-17-15(25-12)16(22)27-20(23)28-17)13-6-4-11(5-7-13)18(30)26-14(19(31)32)3-2-8-21/h4-7,9,14H,2-3,8,10,21H2,1H3,(H,26,30)(H,31,32)(H4,22,23,24,27,28)
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n/an/a 250n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


J Med Chem 25: 475-7 (1982)


Article DOI: 10.1021/jm00346a026
BindingDB Entry DOI: 10.7270/Q2NP25QN
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50421702
PNG
(CHEMBL356340)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCCNC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C28H31N9O5/c1-37(15-19-14-32-24-22(33-19)23(29)35-27(30)36-24)20-11-9-18(10-12-20)25(38)34-21(26(39)40)8-5-13-31-28(41)42-16-17-6-3-2-4-7-17/h2-4,6-7,9-12,14,21H,5,8,13,15-16H2,1H3,(H,31,41)(H,34,38)(H,39,40)(H4,29,30,32,35,36)
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n/an/a 330n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


J Med Chem 25: 475-7 (1982)


Article DOI: 10.1021/jm00346a026
BindingDB Entry DOI: 10.7270/Q2NP25QN
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50421703
PNG
(CHEMBL142626)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCCCNC(=O)OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C29H33N9O5/c1-38(16-20-15-33-25-23(34-20)24(30)36-28(31)37-25)21-12-10-19(11-13-21)26(39)35-22(27(40)41)9-5-6-14-32-29(42)43-17-18-7-3-2-4-8-18/h2-4,7-8,10-13,15,22H,5-6,9,14,16-17H2,1H3,(H,32,42)(H,35,39)(H,40,41)(H4,30,31,33,36,37)
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n/an/a 380n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


J Med Chem 25: 475-7 (1982)


Article DOI: 10.1021/jm00346a026
BindingDB Entry DOI: 10.7270/Q2NP25QN
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50079267
PNG
(Congo Red | Direct red 28 | Kongorot | Sodium diph...)
Show SMILES Nc1c(cc(c2ccccc12)S([O-])(=O)=O)\N=N\c1ccc(cc1)-c1ccc(cc1)\N=N\c1cc(c2ccccc2c1N)S([O-])(=O)=O
Show InChI InChI=1S/C32H24N6O6S2/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34/h1-18H,33-34H2,(H,39,40,41)(H,42,43,44)/p-2/b37-35+,38-36+
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n/an/a 400n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against cloned Dihydrofolate reductase (cDHFR)


J Med Chem 45: 1712-22 (2002)


Article DOI: 10.1021/jm010533y
BindingDB Entry DOI: 10.7270/Q20C4WHD
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50421704
PNG
(CHEMBL342744)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C33H41N9O5/c1-33(2,3)47-30(44)25(12-8-9-17-36-32(45)46-20-21-10-6-5-7-11-21)39-29(43)22-13-15-24(16-14-22)42(4)19-23-18-37-28-26(38-23)27(34)40-31(35)41-28/h5-7,10-11,13-16,18,25H,8-9,12,17,19-20H2,1-4H3,(H,36,45)(H,39,43)(H4,34,35,37,40,41)
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n/an/a 950n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


J Med Chem 25: 475-7 (1982)


Article DOI: 10.1021/jm00346a026
BindingDB Entry DOI: 10.7270/Q2NP25QN
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50406006
PNG
(CHEMBL418492)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc2C(C)=CC(C)(C)Nc12
Show InChI InChI=1S/C18H23N5O/c1-10-8-18(2,3)23-15-13(10)6-11(7-14(15)24-4)5-12-9-21-17(20)22-16(12)19/h6-9,23H,5H2,1-4H3,(H4,19,20,21,22)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase in chicken


J Med Chem 32: 1942-9 (1989)

Checked by Author
Article DOI: 10.1021/jm00128a042
BindingDB Entry DOI: 10.7270/Q2G73FX0
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50421701
PNG
(CHEMBL146440)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCCNC(=O)OCc1ccccc1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C32H39N9O5/c1-32(2,3)46-29(43)24(11-8-16-35-31(44)45-19-20-9-6-5-7-10-20)38-28(42)21-12-14-23(15-13-21)41(4)18-22-17-36-27-25(37-22)26(33)39-30(34)40-27/h5-7,9-10,12-15,17,24H,8,11,16,18-19H2,1-4H3,(H,35,44)(H,38,42)(H4,33,34,36,39,40)
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n/an/a 3.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


J Med Chem 25: 475-7 (1982)


Article DOI: 10.1021/jm00346a026
BindingDB Entry DOI: 10.7270/Q2NP25QN
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50111607
PNG
(3,4-Dichloro-N-[5-(5-chloro-benzothiazol-2-ylsulfa...)
Show SMILES Clc1ccc2sc(Sc3nnc(NC(=O)c4ccc(Cl)c(Cl)c4)s3)nc2c1
Show InChI InChI=1S/C16H7Cl3N4OS3/c17-8-2-4-12-11(6-8)20-15(25-12)27-16-23-22-14(26-16)21-13(24)7-1-3-9(18)10(19)5-7/h1-6H,(H,21,22,24)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against cloned Dihydrofolate reductase (cDHFR)


J Med Chem 45: 1712-22 (2002)


Article DOI: 10.1021/jm010533y
BindingDB Entry DOI: 10.7270/Q20C4WHD
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50111589
PNG
(2-[(3,5-diiodo-4-oxidophenyl)(3,5-diiodo-4-oxocycl...)
Show SMILES [O-]C(=O)c1ccccc1C(=C1C=C(I)C(=O)C(I)=C1)c1cc(I)c([O-])c(I)c1
Show InChI InChI=1S/C20H10I4O4/c21-13-5-9(6-14(22)18(13)25)17(10-7-15(23)19(26)16(24)8-10)11-3-1-2-4-12(11)20(27)28/h1-8,25H,(H,27,28)/p-2
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n/an/a 2.00E+4n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against cloned Dihydrofolate reductase (cDHFR)


J Med Chem 45: 1712-22 (2002)


Article DOI: 10.1021/jm010533y
BindingDB Entry DOI: 10.7270/Q20C4WHD
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50369776
PNG
(CHEMBL298301)
Show SMILES [O-][N+](=O)c1ccc(NN2C(=O)C3C(C2=O)[C@@]2(Cl)C(Cl)=C(Cl)[C@]3(Cl)C2(Cl)Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C15H6Cl6N4O6/c16-9-10(17)14(19)8-7(13(9,18)15(14,20)21)11(26)23(12(8)27)22-5-2-1-4(24(28)29)3-6(5)25(30)31/h1-3,7-8,22H/t7?,8?,13-,14+
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n/an/a 2.50E+4n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against cloned Dihydrofolate reductase (cDHFR)


J Med Chem 45: 1712-22 (2002)


Article DOI: 10.1021/jm010533y
BindingDB Entry DOI: 10.7270/Q20C4WHD
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50065297
PNG
(3-(4-Isopropyl-benzylidene)-1,3-dihydro-indol-2-on...)
Show SMILES CC(C)c1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C18H17NO/c1-12(2)14-9-7-13(8-10-14)11-16-15-5-3-4-6-17(15)19-18(16)20/h3-12H,1-2H3,(H,19,20)/b16-11+
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n/an/a 3.00E+4n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against cloned Dihydrofolate reductase (cDHFR)


J Med Chem 45: 1712-22 (2002)


Article DOI: 10.1021/jm010533y
BindingDB Entry DOI: 10.7270/Q20C4WHD
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50405501
PNG
(CHEMBL57582)
Show SMILES CCc1cc(Cc2cnc(N)nc2N)cc(CC)c1CC
Show InChI InChI=1S/C17H24N4/c1-4-12-7-11(8-13(5-2)15(12)6-3)9-14-10-20-17(19)21-16(14)18/h7-8,10H,4-6,9H2,1-3H3,(H4,18,19,20,21)
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n/an/a 3.30E+4n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


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


J Med Chem 30: 1998-2004 (1987)


Article DOI: 10.1021/jm00394a012
BindingDB Entry DOI: 10.7270/Q2K64K7N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50111585
PNG
(4-(4-Bromo-phenylazo)-phenol | 4-bromophenylazophe...)
Show SMILES Oc1ccc(cc1)N=Nc1ccc(Br)cc1
Show InChI InChI=1S/C12H9BrN2O/c13-9-1-3-10(4-2-9)14-15-11-5-7-12(16)8-6-11/h1-8,16H
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n/an/a 3.50E+4n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against cloned Dihydrofolate reductase (cDHFR)


J Med Chem 45: 1712-22 (2002)


Article DOI: 10.1021/jm010533y
BindingDB Entry DOI: 10.7270/Q20C4WHD
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50111592
PNG
(6,6'-Dichloro-4,4'-dimethyl-[2,2']bi[benzo[b]thiop...)
Show SMILES Oc1c2c(cc(Cl)cc2=C)s\c1=c1\sc2cc(Cl)cc(=C)c2c1O
Show InChI InChI=1S/C18H10Cl2O2S2/c1-7-3-9(19)5-11-13(7)15(21)17(23-11)18-16(22)14-8(2)4-10(20)6-12(14)24-18/h3-6,21-22H,1-2H2/b18-17+
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n/an/a 6.00E+4n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against cloned Dihydrofolate reductase (cDHFR)


J Med Chem 45: 1712-22 (2002)


Article DOI: 10.1021/jm010533y
BindingDB Entry DOI: 10.7270/Q20C4WHD
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50111596
PNG
(CHEMBL46666 | N'1,N'2-bis(2-hydroxybenzylidene)oxa...)
Show SMILES Oc1ccccc1\C=N\NC(=O)C(=O)N\N=C\c1ccccc1O
Show InChI InChI=1S/C16H14N4O4/c21-13-7-3-1-5-11(13)9-17-19-15(23)16(24)20-18-10-12-6-2-4-8-14(12)22/h1-10,21-22H,(H,19,23)(H,20,24)/b17-9+,18-10+
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n/an/a 7.00E+4n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against cloned Dihydrofolate reductase (cDHFR)


J Med Chem 45: 1712-22 (2002)


Article DOI: 10.1021/jm010533y
BindingDB Entry DOI: 10.7270/Q20C4WHD
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50405502
PNG
(CHEMBL293013)
Show SMILES CCc1ccc(Cc2cnc(N)nc2N)cc1CC
Show InChI InChI=1S/C15H20N4/c1-3-11-6-5-10(7-12(11)4-2)8-13-9-18-15(17)19-14(13)16/h5-7,9H,3-4,8H2,1-2H3,(H4,16,17,18,19)
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n/an/a 1.20E+5n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


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


J Med Chem 30: 1998-2004 (1987)


Article DOI: 10.1021/jm00394a012
BindingDB Entry DOI: 10.7270/Q2K64K7N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50111591
PNG
(4-[2-(2,4-Difluoro-phenylamino)-thiazol-4-yl]-benz...)
Show SMILES Oc1ccc(cc1O)-c1csc(Nc2ccc(F)cc2F)n1
Show InChI InChI=1S/C15H10F2N2O2S/c16-9-2-3-11(10(17)6-9)18-15-19-12(7-22-15)8-1-4-13(20)14(21)5-8/h1-7,20-21H,(H,18,19)
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n/an/a 1.50E+5n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibitory activity against cloned Dihydrofolate reductase (cDHFR)


J Med Chem 45: 1712-22 (2002)


Article DOI: 10.1021/jm010533y
BindingDB Entry DOI: 10.7270/Q20C4WHD
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM50138691
PNG
(5-(3,4-Dimethoxy-benzyl)-pyrimidine-2,4-diamine | ...)
Show SMILES COc1ccc(Cc2cnc(N)nc2N)cc1OC
Show InChI InChI=1S/C13H16N4O2/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17)
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n/an/a 3.00E+5n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


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


J Med Chem 30: 1998-2004 (1987)


Article DOI: 10.1021/jm00394a012
BindingDB Entry DOI: 10.7270/Q2K64K7N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM18069
PNG
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
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n/an/a 7.30E+5n/an/an/an/an/an/a



Burroughs Wellcome Co.

Curated by ChEMBL


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


J Med Chem 30: 1998-2004 (1987)


Article DOI: 10.1021/jm00394a012
BindingDB Entry DOI: 10.7270/Q2K64K7N
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Gallus gallus (Chicken))
BDBM18069
PNG
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
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n/an/a 7.60E+5n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase in chicken


J Med Chem 32: 1942-9 (1989)

Checked by Author
Article DOI: 10.1021/jm00128a042
BindingDB Entry DOI: 10.7270/Q2G73FX0
More data for this
Ligand-Target Pair