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Compile Data Set for Download or QSAR

Found 122 hits with Last Name = 'genther' and Initial = 'cs'   
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


(Lactobacillus casei)
BDBM50291776
PNG
(3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl...)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(c1)S(N)(=O)=O |t:3,6|
Show InChI InChI=1S/C11H16N6O2S/c1-11(2)16-9(12)15-10(13)17(11)7-4-3-5-8(6-7)20(14,18)19/h3-6H,1-2H3,(H2,14,18,19)(H4,12,13,15,16)
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1.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 24: 1422-9 (1981)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50291777
PNG
(3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl...)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(c1)C(N)=O |t:3,6|
Show InChI InChI=1S/C12H16N6O/c1-12(2)17-10(14)16-11(15)18(12)8-5-3-4-7(6-8)9(13)19/h3-6H,1-2H3,(H2,13,19)(H4,14,15,16,17)
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2.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 24: 1422-9 (1981)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50090067
PNG
(6,6-Dimethyl-1-phenyl-1,6-dihydro-[1,3,5]triazine-...)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccccc1 |t:3,6|
Show InChI InChI=1S/C11H15N5/c1-11(2)15-9(12)14-10(13)16(11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H4,12,13,14,15)
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2.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 24: 1422-9 (1981)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50291799
PNG
(1-[3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1...)
Show SMILES CC(=O)c1cccc(c1)N1C(N)=NC(N)=NC1(C)C |c:12,15|
Show InChI InChI=1S/C13H17N5O/c1-8(19)9-5-4-6-10(7-9)18-12(15)16-11(14)17-13(18,2)3/h4-7H,1-3H3,(H4,14,15,16,17)
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2.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 24: 1422-9 (1981)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50405059
PNG
(CHEMBL7070)
Show SMILES Cc1cccc(c1)N1C(N)=NC(N)=NC1(C)C |c:10,13|
Show InChI InChI=1S/C12H17N5/c1-8-5-4-6-9(7-8)17-11(14)15-10(13)16-12(17,2)3/h4-7H,1-3H3,(H4,13,14,15,16)
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3.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 24: 1422-9 (1981)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50291796
PNG
(1-(3-Methoxy-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3...)
Show SMILES COc1cccc(c1)N1C(N)=NC(N)=NC1(C)C |c:11,14|
Show InChI InChI=1S/C12H17N5O/c1-12(2)16-10(13)15-11(14)17(12)8-5-4-6-9(7-8)18-3/h4-7H,1-3H3,(H4,13,14,15,16)
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3.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 24: 1422-9 (1981)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50291770
PNG
(3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl...)
Show SMILES CCOC(=O)c1cccc(c1)N1C(=N)NC(=N)NC1(C)C
Show InChI InChI=1S/C14H19N5O2/c1-4-21-11(20)9-6-5-7-10(8-9)19-13(16)17-12(15)18-14(19,2)3/h5-8H,4H2,1-3H3,(H4,15,16,17,18)
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3.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 24: 1422-9 (1981)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50223502
PNG
(CHEMBL30603)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(c1)S(F)(=O)=O |t:3,6|
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3.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 24: 1422-9 (1981)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50291798
PNG
(1-(3-tert-Butyl-phenyl)-6,6-dimethyl-1,6-dihydro-[...)
Show SMILES CC(C)(C)c1cccc(c1)N1C(N)=NC(N)=NC1(C)C |c:13,16|
Show InChI InChI=1S/C15H23N5/c1-14(2,3)10-7-6-8-11(9-10)20-13(17)18-12(16)19-15(20,4)5/h6-9H,1-5H3,(H4,16,17,18,19)
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3.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 24: 1422-9 (1981)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50291775
PNG
(3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl...)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(O)c1 |t:3,6|
Show InChI InChI=1S/C11H15N5O/c1-11(2)15-9(12)14-10(13)16(11)7-4-3-5-8(17)6-7/h3-6,17H,1-2H3,(H4,12,13,14,15)
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3.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 24: 1422-9 (1981)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50291793
PNG
(6,6-Dimethyl-1-(3-trifluoromethyl-phenyl)-1,6-dihy...)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(c1)C(F)(F)F |t:3,6|
Show InChI InChI=1S/C12H14F3N5/c1-11(2)19-9(16)18-10(17)20(11)8-5-3-4-7(6-8)12(13,14)15/h3-6H,1-2H3,(H4,16,17,18,19)
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3.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 24: 1422-9 (1981)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50405083
PNG
(CHEMBL267499)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(F)c1 |t:3,6|
Show InChI InChI=1S/C11H14FN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-4-7(12)6-8/h3-6H,1-2H3,(H4,13,14,15,16)
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3.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 24: 1422-9 (1981)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50090054
PNG
(1-(3-Chloro-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,...)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(Cl)c1 |t:3,6|
Show InChI InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-4-7(12)6-8/h3-6H,1-2H3,(H4,13,14,15,16)
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3.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 24: 1422-9 (1981)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50291774
PNG
(6,6-Dimethyl-1-(3-nitro-phenyl)-1,6-dihydro-[1,3,5...)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(c1)[N+]([O-])=O |t:3,6|
Show InChI InChI=1S/C11H14N6O2/c1-11(2)15-9(12)14-10(13)16(11)7-4-3-5-8(6-7)17(18)19/h3-6H,1-2H3,(H4,12,13,14,15)
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3.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 24: 1422-9 (1981)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50291779
PNG
(3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl...)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(c1)C#N |t:3,6|
Show InChI InChI=1S/C12H14N6/c1-12(2)17-10(14)16-11(15)18(12)9-5-3-4-8(6-9)7-13/h3-6H,1-2H3,(H4,14,15,16,17)
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3.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 24: 1422-9 (1981)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50405092
PNG
(CHEMBL266025)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(OCCOc2ccccc2)c1 |t:3,6|
Show InChI InChI=1S/C19H23N5O2/c1-19(2)23-17(20)22-18(21)24(19)14-7-6-10-16(13-14)26-12-11-25-15-8-4-3-5-9-15/h3-10,13H,11-12H2,1-2H3,(H4,20,21,22,23)
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3.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 24: 1422-9 (1981)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50405066
PNG
(CHEMBL268088)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(Br)c1 |t:3,6|
Show InChI InChI=1S/C11H14BrN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-4-7(12)6-8/h3-6H,1-2H3,(H4,13,14,15,16)
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3.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 24: 1422-9 (1981)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50405089
PNG
(CHEMBL268414)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(I)c1 |t:3,6|
Show InChI InChI=1S/C11H14IN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-4-7(12)6-8/h3-6H,1-2H3,(H4,13,14,15,16)
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3.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 24: 1422-9 (1981)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50291797
PNG
(6,6-Dimethyl-1-{3-[2-(3-trifluoromethyl-phenoxy)-e...)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(OCCOc2cccc(c2)C(F)(F)F)c1 |t:3,6|
Show InChI InChI=1S/C20H22F3N5O2/c1-19(2)27-17(24)26-18(25)28(19)14-6-4-8-16(12-14)30-10-9-29-15-7-3-5-13(11-15)20(21,22)23/h3-8,11-12H,9-10H2,1-2H3,(H4,24,25,26,27)
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4.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 24: 1422-9 (1981)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50405087
PNG
(CHEMBL7435)
Show SMILES CCCCOc1cccc(c1)N1C(N)=NC(N)=NC1(C)C |c:14,17|
Show InChI InChI=1S/C15H23N5O/c1-4-5-9-21-12-8-6-7-11(10-12)20-14(17)18-13(16)19-15(20,2)3/h6-8,10H,4-5,9H2,1-3H3,(H4,16,17,18,19)
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4.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 24: 1422-9 (1981)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50291780
PNG
(1-(3-Benzyloxy-phenyl)-6,6-dimethyl-1,6-dihydro-[1...)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(OCc2ccccc2)c1 |t:3,6|
Show InChI InChI=1S/C18H21N5O/c1-18(2)22-16(19)21-17(20)23(18)14-9-6-10-15(11-14)24-12-13-7-4-3-5-8-13/h3-11H,12H2,1-2H3,(H4,19,20,21,22)
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4.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 24: 1422-9 (1981)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50405076
PNG
(CHEMBL269704)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 |t:3,6|
Show InChI InChI=1S/C18H19Cl2N5O/c1-18(2)24-16(21)23-17(22)25(18)12-4-3-5-13(9-12)26-10-11-6-7-14(19)15(20)8-11/h3-9H,10H2,1-2H3,(H4,21,22,23,24)
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4.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 24: 1422-9 (1981)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50405099
PNG
(CHEMBL33750)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc(NC(N)=S)c2)c1 |t:3,6|
Show InChI InChI=1S/C19H23N7OS/c1-19(2)25-16(20)24-17(21)26(19)14-7-3-5-12(9-14)11-27-15-8-4-6-13(10-15)23-18(22)28/h3-10H,11H2,1-2H3,(H3,22,23,28)(H4,20,21,24,25)
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4.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 24: 1422-9 (1981)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50291800
PNG
(6,6-Dimethyl-1-(3-undecyloxy-phenyl)-1,6-dihydro-[...)
Show SMILES CCCCCCCCCCCOc1cccc(c1)N1C(N)=NC(N)=NC1(C)C |c:21,24|
Show InChI InChI=1S/C22H37N5O/c1-4-5-6-7-8-9-10-11-12-16-28-19-15-13-14-18(17-19)27-21(24)25-20(23)26-22(27,2)3/h13-15,17H,4-12,16H2,1-3H3,(H4,23,24,25,26)
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4.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 24: 1422-9 (1981)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50291801
PNG
(6,6-Dimethyl-1-(3-tetradecyloxy-phenyl)-1,6-dihydr...)
Show SMILES CCCCCCCCCCCCCCOc1cccc(c1)N1C(N)=NC(N)=NC1(C)C |c:24,27|
Show InChI InChI=1S/C25H43N5O/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-31-22-18-16-17-21(20-22)30-24(27)28-23(26)29-25(30,2)3/h16-18,20H,4-15,19H2,1-3H3,(H4,26,27,28,29)
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4.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 24: 1422-9 (1981)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50405069
PNG
(CHEMBL287235)
Show SMILES CCCCCCCCCCCCOc1cccc(c1)N1C(N)=NC(N)=NC1(C)C |c:22,25|
Show InChI InChI=1S/C23H39N5O/c1-4-5-6-7-8-9-10-11-12-13-17-29-20-16-14-15-19(18-20)28-22(25)26-21(24)27-23(28,2)3/h14-16,18H,4-13,17H2,1-3H3,(H4,24,25,26,27)
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4.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 24: 1422-9 (1981)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50291784
PNG
(6,6-Dimethyl-1-(3-nonyloxy-phenyl)-1,6-dihydro-[1,...)
Show SMILES CCCCCCCCCOc1cccc(c1)N1C(N)=NC(N)=NC1(C)C |c:19,22|
Show InChI InChI=1S/C20H33N5O/c1-4-5-6-7-8-9-10-14-26-17-13-11-12-16(15-17)25-19(22)23-18(21)24-20(25,2)3/h11-13,15H,4-10,14H2,1-3H3,(H4,21,22,23,24)
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4.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 24: 1422-9 (1981)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50291781
PNG
(5-[3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1...)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(CNc2cc(cc(c2)C(N)=O)C(N)=O)c1 |t:3,6|
Show InChI InChI=1S/C20H24N8O2/c1-20(2)27-18(23)26-19(24)28(20)15-5-3-4-11(6-15)10-25-14-8-12(16(21)29)7-13(9-14)17(22)30/h3-9,25H,10H2,1-2H3,(H2,21,29)(H2,22,30)(H4,23,24,26,27)
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4.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 24: 1422-9 (1981)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50405078
PNG
(CHEMBL30884)
Show SMILES CCCCCCCCCCCCCOc1cccc(c1)N1C(N)=NC(N)=NC1(C)C |c:23,26|
Show InChI InChI=1S/C24H41N5O/c1-4-5-6-7-8-9-10-11-12-13-14-18-30-21-17-15-16-20(19-21)29-23(26)27-22(25)28-24(29,2)3/h15-17,19H,4-14,18H2,1-3H3,(H4,25,26,27,28)
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4.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 24: 1422-9 (1981)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50405085
PNG
(CHEMBL6771)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(OCCCCOc2ccccc2)c1 |t:3,6|
Show InChI InChI=1S/C21H27N5O2/c1-21(2)25-19(22)24-20(23)26(21)16-9-8-12-18(15-16)28-14-7-6-13-27-17-10-4-3-5-11-17/h3-5,8-12,15H,6-7,13-14H2,1-2H3,(H4,22,23,24,25)
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4.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 24: 1422-9 (1981)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50291805
PNG
(6,6-Dimethyl-1-{3-[4-(3-trifluoromethyl-phenoxy)-b...)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(OCCCCOc2cccc(c2)C(F)(F)F)c1 |t:3,6|
Show InChI InChI=1S/C22H26F3N5O2/c1-21(2)29-19(26)28-20(27)30(21)16-8-6-10-18(14-16)32-12-4-3-11-31-17-9-5-7-15(13-17)22(23,24)25/h5-10,13-14H,3-4,11-12H2,1-2H3,(H4,26,27,28,29)
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4.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 24: 1422-9 (1981)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50291792
PNG
(4-[3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1...)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(CNc2ccc(cc2)S(N)(=O)=O)c1 |t:3,6|
Show InChI InChI=1S/C18H23N7O2S/c1-18(2)24-16(19)23-17(20)25(18)14-5-3-4-12(10-14)11-22-13-6-8-15(9-7-13)28(21,26)27/h3-10,22H,11H2,1-2H3,(H2,21,26,27)(H4,19,20,23,24)
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5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 24: 1422-9 (1981)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50405067
PNG
(CHEMBL32063)
Show SMILES CCCCCCc1cccc(c1)N1C(N)=NC(N)=NC1(C)C |c:15,18|
Show InChI InChI=1S/C17H27N5/c1-4-5-6-7-9-13-10-8-11-14(12-13)22-16(19)20-15(18)21-17(22,2)3/h8,10-12H,4-7,9H2,1-3H3,(H4,18,19,20,21)
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5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 24: 1422-9 (1981)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50291785
PNG
(6,6-Dimethyl-1-(3-m-tolyloxymethyl-phenyl)-1,6-dih...)
Show SMILES Cc1cccc(OCc2cccc(c2)N2C(N)=NC(N)=NC2(C)C)c1 |c:17,20|
Show InChI InChI=1S/C19H23N5O/c1-13-6-4-9-16(10-13)25-12-14-7-5-8-15(11-14)24-18(21)22-17(20)23-19(24,2)3/h4-11H,12H2,1-3H3,(H4,20,21,22,23)
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5.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 24: 1422-9 (1981)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50291802
PNG
(1-[3-(3-Ethyl-phenoxymethyl)-phenyl]-6,6-dimethyl-...)
Show SMILES CCc1cccc(OCc2cccc(c2)N2C(N)=NC(N)=NC2(C)C)c1 |c:18,21|
Show InChI InChI=1S/C20H25N5O/c1-4-14-7-6-10-17(12-14)26-13-15-8-5-9-16(11-15)25-19(22)23-18(21)24-20(25,2)3/h5-12H,4,13H2,1-3H3,(H4,21,22,23,24)
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5.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 24: 1422-9 (1981)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50291782
PNG
(3-[3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1...)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc(c2)C#N)c1 |t:3,6|
Show InChI InChI=1S/C19H20N6O/c1-19(2)24-17(21)23-18(22)25(19)15-7-3-6-14(9-15)12-26-16-8-4-5-13(10-16)11-20/h3-10H,12H2,1-2H3,(H4,21,22,23,24)
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5.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 24: 1422-9 (1981)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50291771
PNG
(CHEMBL20528 | {3-[3-(4,6-Diamino-2,2-dimethyl-2H-[...)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc(NC(N)=O)c2)c1 |t:3,6|
Show InChI InChI=1S/C19H23N7O2/c1-19(2)25-16(20)24-17(21)26(19)14-7-3-5-12(9-14)11-28-15-8-4-6-13(10-15)23-18(22)27/h3-10H,11H2,1-2H3,(H3,22,23,27)(H4,20,21,24,25)
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5.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 24: 1422-9 (1981)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50405037
PNG
(CHEMBL33558)
Show SMILES CC(C)(C)c1cccc(OCc2cccc(c2)N2C(N)=NC(N)=NC2(C)C)c1 |c:20,23|
Show InChI InChI=1S/C22H29N5O/c1-21(2,3)16-9-7-11-18(13-16)28-14-15-8-6-10-17(12-15)27-20(24)25-19(23)26-22(27,4)5/h6-13H,14H2,1-5H3,(H4,23,24,25,26)
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5.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 24: 1422-9 (1981)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50291766
PNG
(1-[3-(3-Isopropyl-phenoxymethyl)-phenyl]-6,6-dimet...)
Show SMILES CC(C)c1cccc(OCc2cccc(c2)N2C(N)=NC(N)=NC2(C)C)c1 |c:19,22|
Show InChI InChI=1S/C21H27N5O/c1-14(2)16-8-6-10-18(12-16)27-13-15-7-5-9-17(11-15)26-20(23)24-19(22)25-21(26,3)4/h5-12,14H,13H2,1-4H3,(H4,22,23,24,25)
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5.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 24: 1422-9 (1981)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50291789
PNG
(1-[3-(3-Chloro-phenoxymethyl)-phenyl]-6,6-dimethyl...)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc(Cl)c2)c1 |t:3,6|
Show InChI InChI=1S/C18H20ClN5O/c1-18(2)23-16(20)22-17(21)24(18)14-7-3-5-12(9-14)11-25-15-8-4-6-13(19)10-15/h3-10H,11H2,1-2H3,(H4,20,21,22,23)
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5.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 24: 1422-9 (1981)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50405042
PNG
(CHEMBL282754)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(COc2ccccc2)c1 |t:3,6|
Show InChI InChI=1S/C18H21N5O/c1-18(2)22-16(19)21-17(20)23(18)14-8-6-7-13(11-14)12-24-15-9-4-3-5-10-15/h3-11H,12H2,1-2H3,(H4,19,20,21,22)
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5.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 24: 1422-9 (1981)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50291778
PNG
(CHEMBL20812 | N-{3-[3-(4,6-Diamino-2,2-dimethyl-2H...)
Show SMILES CC(=O)Nc1cccc(OCc2cccc(c2)N2C(N)=NC(N)=NC2(C)C)c1 |c:20,23|
Show InChI InChI=1S/C20H24N6O2/c1-13(27)23-15-7-5-9-17(11-15)28-12-14-6-4-8-16(10-14)26-19(22)24-18(21)25-20(26,2)3/h4-11H,12H2,1-3H3,(H,23,27)(H4,21,22,24,25)
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5.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 24: 1422-9 (1981)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50291795
PNG
(CHEMBL441503 | {3-[3-(4,6-Diamino-2,2-dimethyl-2H-...)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc(CO)c2)c1 |t:3,6|
Show InChI InChI=1S/C19H23N5O2/c1-19(2)23-17(20)22-18(21)24(19)15-7-3-6-14(9-15)12-26-16-8-4-5-13(10-16)11-25/h3-10,25H,11-12H2,1-2H3,(H4,20,21,22,23)
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5.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 24: 1422-9 (1981)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactobacillus casei)
BDBM50291783
PNG
(1-[3-(3-Methoxy-phenoxymethyl)-phenyl]-6,6-dimethy...)
Show SMILES COc1cccc(OCc2cccc(c2)N2C(N)=NC(N)=NC2(C)C)c1 |c:18,21|
Show InChI InChI=1S/C19H23N5O2/c1-19(2)23-17(20)22-18(21)24(19)14-7-4-6-13(10-14)12-26-16-9-5-8-15(11-16)25-3/h4-11H,12H2,1-3H3,(H4,20,21,22,23)
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5.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 24: 1422-9 (1981)

More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50291785
PNG
(6,6-Dimethyl-1-(3-m-tolyloxymethyl-phenyl)-1,6-dih...)
Show SMILES Cc1cccc(OCc2cccc(c2)N2C(N)=NC(N)=NC2(C)C)c1 |c:17,20|
Show InChI InChI=1S/C19H23N5O/c1-13-6-4-9-16(10-13)25-12-14-7-5-8-15(11-14)24-18(21)22-17(20)23-19(24,2)3/h4-11H,12H2,1-3H3,(H4,20,21,22,23)
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537n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 28: 1910-6 (1985)

More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50291800
PNG
(6,6-Dimethyl-1-(3-undecyloxy-phenyl)-1,6-dihydro-[...)
Show SMILES CCCCCCCCCCCOc1cccc(c1)N1C(N)=NC(N)=NC1(C)C |c:21,24|
Show InChI InChI=1S/C22H37N5O/c1-4-5-6-7-8-9-10-11-12-16-28-19-15-13-14-18(17-19)27-21(24)25-20(23)26-22(27,2)3/h13-15,17H,4-12,16H2,1-3H3,(H4,23,24,25,26)
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646n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 28: 1910-6 (1985)

More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50291795
PNG
(CHEMBL441503 | {3-[3-(4,6-Diamino-2,2-dimethyl-2H-...)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc(CO)c2)c1 |t:3,6|
Show InChI InChI=1S/C19H23N5O2/c1-19(2)23-17(20)22-18(21)24(19)15-7-3-6-14(9-15)12-26-16-8-4-5-13(10-16)11-25/h3-10,25H,11-12H2,1-2H3,(H4,20,21,22,23)
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646n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 28: 1910-6 (1985)

More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50405099
PNG
(CHEMBL33750)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc(NC(N)=S)c2)c1 |t:3,6|
Show InChI InChI=1S/C19H23N7OS/c1-19(2)25-16(20)24-17(21)26(19)14-7-3-5-12(9-14)11-27-15-8-4-6-13(10-15)23-18(22)28/h3-10H,11H2,1-2H3,(H3,22,23,28)(H4,20,21,24,25)
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676n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 28: 1910-6 (1985)

More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50405076
PNG
(CHEMBL269704)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 |t:3,6|
Show InChI InChI=1S/C18H19Cl2N5O/c1-18(2)24-16(21)23-17(22)25(18)12-4-3-5-13(9-12)26-10-11-6-7-14(19)15(20)8-11/h3-9H,10H2,1-2H3,(H4,21,22,23,24)
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708n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 28: 1910-6 (1985)

More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50405037
PNG
(CHEMBL33558)
Show SMILES CC(C)(C)c1cccc(OCc2cccc(c2)N2C(N)=NC(N)=NC2(C)C)c1 |c:20,23|
Show InChI InChI=1S/C22H29N5O/c1-21(2,3)16-9-7-11-18(13-16)28-14-15-8-6-10-17(12-15)27-20(24)25-19(23)26-22(27,4)5/h6-13H,14H2,1-5H3,(H4,23,24,25,26)
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PC cid
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871n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 28: 1910-6 (1985)

More data for this
Ligand-Target Pair
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