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Compile Data Set for Download or QSAR

Found 1213 hits of ic50 for UniProtKB: P00374   
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


(Homo sapiens (human))
BDBM50141010
PNG
(6-(5-Chloro-2-methyl-benzyl)-5-methyl-pyrido[2,3-d...)
Show SMILES Cc1ccc(Cl)cc1Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C16H16ClN5/c1-8-3-4-12(17)6-10(8)5-11-7-20-15-13(9(11)2)14(18)21-16(19)22-15/h3-4,6-7H,5H2,1-2H3,(H4,18,19,20,21,22)
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n/an/a 0.190n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory concentration against dihydrofolate reductase of Mycobacterium avium


J Med Chem 47: 1475-86 (2004)


Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50145797
PNG
(6-[(3,5-Dipropoxy-phenylamino)-methyl]-5-methyl-py...)
Show SMILES CCCOc1cc(NCc2cnc3nc(N)nc(N)c3c2C)cc(OCCC)c1
Show InChI InChI=1S/C21H28N6O2/c1-4-6-28-16-8-15(9-17(10-16)29-7-5-2)24-11-14-12-25-20-18(13(14)3)19(22)26-21(23)27-20/h8-10,12,24H,4-7,11H2,1-3H3,(H4,22,23,25,26,27)
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n/an/a 0.190n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Concentration required to inhibit the Mycobacterium avium Dihydrofolate reductase by 50% was determined


J Med Chem 47: 2475-85 (2004)


Article DOI: 10.1021/jm030599o
BindingDB Entry DOI: 10.7270/Q2K64HHD
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50107989
PNG
(6-[(4-Chloro-2-methyl-phenylamino)-methyl]-5-methy...)
Show SMILES Cc1cc(Cl)ccc1NCc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C16H17ClN6/c1-8-5-11(17)3-4-12(8)20-6-10-7-21-15-13(9(10)2)14(18)22-16(19)23-15/h3-5,7,20H,6H2,1-2H3,(H4,18,19,21,22,23)
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n/an/a 0.190n/an/an/an/an/an/a



Lindsley F. Kimball Research Institute

Curated by ChEMBL


Assay Description
Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR)


J Med Chem 45: 41-53 (2001)


Article DOI: 10.1021/jm010360c
BindingDB Entry DOI: 10.7270/Q2FQ9VXR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50232529
PNG
(5-(2-fluorobenzyloxy)quinazoline-2,4-diamine | CHE...)
Show SMILES Nc1nc(N)c2c(OCc3ccccc3F)cccc2n1
Show InChI InChI=1S/C15H13FN4O/c16-10-5-2-1-4-9(10)8-21-12-7-3-6-11-13(12)14(17)20-15(18)19-11/h1-7H,8H2,(H4,17,18,19,20)
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n/an/a 0.390n/an/an/an/an/an/a



deCODE Chemistry Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DHFR


J Med Chem 51: 449-69 (2008)


Article DOI: 10.1021/jm061475p
BindingDB Entry DOI: 10.7270/Q27S7NJD
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50050410
PNG
(6-[(5-Methoxy-2-methyl-phenylamino)-methyl]-5-meth...)
Show SMILES COc1ccc(C)c(NCc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C17H20N6O/c1-9-4-5-12(24-3)6-13(9)20-7-11-8-21-16-14(10(11)2)15(18)22-17(19)23-16/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
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n/an/a 0.400n/an/an/an/an/an/a



Lindsley F. Kimball Research Institute

Curated by ChEMBL


Assay Description
Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR)


J Med Chem 45: 41-53 (2001)


Article DOI: 10.1021/jm010360c
BindingDB Entry DOI: 10.7270/Q2FQ9VXR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50107956
PNG
(6-[(4-Chloro-naphthalen-1-ylamino)-methyl]-5-methy...)
Show SMILES Cc1c(CNc2ccc(Cl)c3ccccc23)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C19H17ClN6/c1-10-11(9-24-18-16(10)17(21)25-19(22)26-18)8-23-15-7-6-14(20)12-4-2-3-5-13(12)15/h2-7,9,23H,8H2,1H3,(H4,21,22,24,25,26)
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n/an/a 0.430n/an/an/an/an/an/a



Lindsley F. Kimball Research Institute

Curated by ChEMBL


Assay Description
Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR)


J Med Chem 45: 41-53 (2001)


Article DOI: 10.1021/jm010360c
BindingDB Entry DOI: 10.7270/Q2FQ9VXR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
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 0.600n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase (DHFR) isolated from CCRF-CEM human leukemia cells in experiment 2


J Med Chem 39: 56-65 (1996)


Article DOI: 10.1021/jm950515e
BindingDB Entry DOI: 10.7270/Q2Q81DR3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50107972
PNG
(6-[(3-Bromo-4-methyl-phenylamino)-methyl]-5-methyl...)
Show SMILES Cc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)cc1Br
Show InChI InChI=1S/C16H17BrN6/c1-8-3-4-11(5-12(8)17)20-6-10-7-21-15-13(9(10)2)14(18)22-16(19)23-15/h3-5,7,20H,6H2,1-2H3,(H4,18,19,21,22,23)
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n/an/a 0.600n/an/an/an/an/an/a



Lindsley F. Kimball Research Institute

Curated by ChEMBL


Assay Description
Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR)


J Med Chem 45: 41-53 (2001)


Article DOI: 10.1021/jm010360c
BindingDB Entry DOI: 10.7270/Q2FQ9VXR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM18224
PNG
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)
Show SMILES COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22)
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n/an/a 0.610n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory concentration against dihydrofolate reductase of Mycobacterium avium


J Med Chem 47: 1475-86 (2004)


Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Homo sapiens (human))
BDBM18224
PNG
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)
Show SMILES COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22)
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n/an/a 0.610n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Concentration required to inhibit the Mycobacterium avium Dihydrofolate reductase by 50% was determined; Range : 0.53-0.70


J Med Chem 47: 2475-85 (2004)


Article DOI: 10.1021/jm030599o
BindingDB Entry DOI: 10.7270/Q2K64HHD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50141011
PNG
(6-(3,5-Dimethoxy-benzyl)-5-methyl-pyrido[2,3-d]pyr...)
Show SMILES COc1cc(Cc2cnc3nc(N)nc(N)c3c2C)cc(OC)c1
Show InChI InChI=1S/C17H19N5O2/c1-9-11(4-10-5-12(23-2)7-13(6-10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h5-8H,4H2,1-3H3,(H4,18,19,20,21,22)
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n/an/a 0.640n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory concentration against dihydrofolate reductase of Mycobacterium avium


J Med Chem 47: 1475-86 (2004)


Article DOI: 10.1021/jm030438k
BindingDB Entry DOI: 10.7270/Q2SJ1K14
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50050419
PNG
(6-[(2-Methoxy-5-trifluoromethyl-phenylamino)-methy...)
Show SMILES COc1ccc(cc1NCc1cnc2nc(N)nc(N)c2c1C)C(F)(F)F
Show InChI InChI=1S/C17H17F3N6O/c1-8-9(7-24-15-13(8)14(21)25-16(22)26-15)6-23-11-5-10(17(18,19)20)3-4-12(11)27-2/h3-5,7,23H,6H2,1-2H3,(H4,21,22,24,25,26)
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n/an/a 0.660n/an/an/an/an/an/a



Lindsley F. Kimball Research Institute

Curated by ChEMBL


Assay Description
Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR)


J Med Chem 45: 41-53 (2001)


Article DOI: 10.1021/jm010360c
BindingDB Entry DOI: 10.7270/Q2FQ9VXR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50107964
PNG
(6-[(2,5-Dibromo-phenylamino)-methyl]-5-methyl-pyri...)
Show SMILES Cc1c(CNc2cc(Br)ccc2Br)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C15H14Br2N6/c1-7-8(5-20-11-4-9(16)2-3-10(11)17)6-21-14-12(7)13(18)22-15(19)23-14/h2-4,6,20H,5H2,1H3,(H4,18,19,21,22,23)
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n/an/a 0.700n/an/an/an/an/an/a



Lindsley F. Kimball Research Institute

Curated by ChEMBL


Assay Description
Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR)


J Med Chem 45: 41-53 (2001)


Article DOI: 10.1021/jm010360c
BindingDB Entry DOI: 10.7270/Q2FQ9VXR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
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 0.700n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against CCRF-CEM leukemic cell DHFR(Dihydro folate reductase).


J Med Chem 38: 3798-805 (1995)


Article DOI: 10.1021/jm00019a009
BindingDB Entry DOI: 10.7270/Q2FQ9VN5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50034934
PNG
(6-[(3,4-Dimethoxy-phenylamino)-methyl]-5-methyl-py...)
Show SMILES COc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)cc1OC
Show InChI InChI=1S/C17H20N6O2/c1-9-10(8-21-16-14(9)15(18)22-17(19)23-16)7-20-11-4-5-12(24-2)13(6-11)25-3/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
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n/an/a 0.700n/an/an/an/an/an/a



Lindsley F. Kimball Research Institute

Curated by ChEMBL


Assay Description
Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR)


J Med Chem 45: 41-53 (2001)


Article DOI: 10.1021/jm010360c
BindingDB Entry DOI: 10.7270/Q2FQ9VXR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
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 0.720n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase (DHFR) isolated from CCRF-CEM human leukemia cells in experiment 1


J Med Chem 39: 56-65 (1996)


Article DOI: 10.1021/jm950515e
BindingDB Entry DOI: 10.7270/Q2Q81DR3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50034930
PNG
(6-{[(3,5-Dimethoxy-phenyl)-methyl-amino]-methyl}-5...)
Show SMILES COc1cc(OC)cc(c1)N(C)Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C18H22N6O2/c1-10-11(8-21-17-15(10)16(19)22-18(20)23-17)9-24(2)12-5-13(25-3)7-14(6-12)26-4/h5-8H,9H2,1-4H3,(H4,19,20,21,22,23)
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n/an/a 0.730n/an/an/an/an/an/a



Lindsley F. Kimball Research Institute

Curated by ChEMBL


Assay Description
Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR)


J Med Chem 45: 41-53 (2001)


Article DOI: 10.1021/jm010360c
BindingDB Entry DOI: 10.7270/Q2FQ9VXR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50145794
PNG
(4-[5-(2,4-Diamino-pteridin-6-ylmethyl)-5H-dibenzo[...)
Show SMILES Nc1nc(N)c2nc(CN3c4ccccc4C=Cc4cc(OCc5ccc(cc5)C(O)=O)ccc34)cnc2n1
Show InChI InChI=1S/C29H23N7O3/c30-26-25-27(35-29(31)34-26)32-14-21(33-25)15-36-23-4-2-1-3-18(23)9-10-20-13-22(11-12-24(20)36)39-16-17-5-7-19(8-6-17)28(37)38/h1-14H,15-16H2,(H,37,38)(H4,30,31,32,34,35)
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n/an/a 0.75n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Concentration required to inhibit the Mycobacterium avium Dihydrofolate reductase by 50% was determined; Range : 0.55-1.0


J Med Chem 47: 2475-85 (2004)


Article DOI: 10.1021/jm030599o
BindingDB Entry DOI: 10.7270/Q2K64HHD
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50107983
PNG
(5-Methyl-6-(naphthalen-2-ylaminomethyl)-pyrido[2,3...)
Show SMILES Cc1c(CNc2ccc3ccccc3c2)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C19H18N6/c1-11-14(10-23-18-16(11)17(20)24-19(21)25-18)9-22-15-7-6-12-4-2-3-5-13(12)8-15/h2-8,10,22H,9H2,1H3,(H4,20,21,23,24,25)
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n/an/a 0.760n/an/an/an/an/an/a



Lindsley F. Kimball Research Institute

Curated by ChEMBL


Assay Description
Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR)


J Med Chem 45: 41-53 (2001)


Article DOI: 10.1021/jm010360c
BindingDB Entry DOI: 10.7270/Q2FQ9VXR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50107998
PNG
(6-[(2-Chloro-4-fluoro-5-methyl-phenylamino)-methyl...)
Show SMILES Cc1cc(NCc2cnc3nc(N)nc(N)c3c2C)c(Cl)cc1F
Show InChI InChI=1S/C16H16ClFN6/c1-7-3-12(10(17)4-11(7)18)21-5-9-6-22-15-13(8(9)2)14(19)23-16(20)24-15/h3-4,6,21H,5H2,1-2H3,(H4,19,20,22,23,24)
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n/an/a 0.780n/an/an/an/an/an/a



Lindsley F. Kimball Research Institute

Curated by ChEMBL


Assay Description
Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR)


J Med Chem 45: 41-53 (2001)


Article DOI: 10.1021/jm010360c
BindingDB Entry DOI: 10.7270/Q2FQ9VXR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50108000
PNG
(6-[(5-Chloro-2-methyl-phenylamino)-methyl]-5-methy...)
Show SMILES Cc1ccc(Cl)cc1NCc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C16H17ClN6/c1-8-3-4-11(17)5-12(8)20-6-10-7-21-15-13(9(10)2)14(18)22-16(19)23-15/h3-5,7,20H,6H2,1-2H3,(H4,18,19,21,22,23)
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n/an/a 0.790n/an/an/an/an/an/a



Lindsley F. Kimball Research Institute

Curated by ChEMBL


Assay Description
Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR)


J Med Chem 45: 41-53 (2001)


Article DOI: 10.1021/jm010360c
BindingDB Entry DOI: 10.7270/Q2FQ9VXR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50034928
PNG
(5-Methyl-6-(naphthalen-1-ylaminomethyl)-pyrido[2,3...)
Show SMILES Cc1c(CNc2cccc3ccccc23)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C19H18N6/c1-11-13(10-23-18-16(11)17(20)24-19(21)25-18)9-22-15-8-4-6-12-5-2-3-7-14(12)15/h2-8,10,22H,9H2,1H3,(H4,20,21,23,24,25)
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n/an/a 0.810n/an/an/an/an/an/a



Lindsley F. Kimball Research Institute

Curated by ChEMBL


Assay Description
Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR)


J Med Chem 45: 41-53 (2001)


Article DOI: 10.1021/jm010360c
BindingDB Entry DOI: 10.7270/Q2FQ9VXR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50078468
PNG
(6-[(3-Chloro-phenylamino)-methyl]-5-methyl-pyrido[...)
Show SMILES Cc1c(CNc2cccc(Cl)c2)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C15H15ClN6/c1-8-9(6-19-11-4-2-3-10(16)5-11)7-20-14-12(8)13(17)21-15(18)22-14/h2-5,7,19H,6H2,1H3,(H4,17,18,20,21,22)
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n/an/a 0.820n/an/an/an/an/an/a



Lindsley F. Kimball Research Institute

Curated by ChEMBL


Assay Description
Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR)


J Med Chem 45: 41-53 (2001)


Article DOI: 10.1021/jm010360c
BindingDB Entry DOI: 10.7270/Q2FQ9VXR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50107963
PNG
(6-[(3-Chloro-2-methyl-phenylamino)-methyl]-5-methy...)
Show SMILES Cc1c(Cl)cccc1NCc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C16H17ClN6/c1-8-10(6-20-12-5-3-4-11(17)9(12)2)7-21-15-13(8)14(18)22-16(19)23-15/h3-5,7,20H,6H2,1-2H3,(H4,18,19,21,22,23)
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Lindsley F. Kimball Research Institute

Curated by ChEMBL


Assay Description
Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR)


J Med Chem 45: 41-53 (2001)


Article DOI: 10.1021/jm010360c
BindingDB Entry DOI: 10.7270/Q2FQ9VXR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50107973
PNG
(6-[(2-Bromo-5-trifluoromethyl-phenylamino)-methyl]...)
Show SMILES Cc1c(CNc2cc(ccc2Br)C(F)(F)F)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C16H14BrF3N6/c1-7-8(6-24-14-12(7)13(21)25-15(22)26-14)5-23-11-4-9(16(18,19)20)2-3-10(11)17/h2-4,6,23H,5H2,1H3,(H4,21,22,24,25,26)
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Lindsley F. Kimball Research Institute

Curated by ChEMBL


Assay Description
Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR)


J Med Chem 45: 41-53 (2001)


Article DOI: 10.1021/jm010360c
BindingDB Entry DOI: 10.7270/Q2FQ9VXR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
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 0.820n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory concentration against dihydrofolate reductase (DHFR) enzyme isolated from CCRF-CEM human leukemia cells.


J Med Chem 39: 2536-40 (1996)


Article DOI: 10.1021/jm960046w
BindingDB Entry DOI: 10.7270/Q2000158
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50029772
PNG
(5-Methyl-6-[(3,4,5-trimethoxy-phenylamino)-methyl]...)
Show SMILES COc1cc(NCc2cnc3nc(N)nc(N)c3c2C)cc(OC)c1OC
Show InChI InChI=1S/C18H22N6O3/c1-9-10(8-22-17-14(9)16(19)23-18(20)24-17)7-21-11-5-12(25-2)15(27-4)13(6-11)26-3/h5-6,8,21H,7H2,1-4H3,(H4,19,20,22,23,24)
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n/an/a 0.820n/an/an/an/an/an/a



Lindsley F. Kimball Research Institute

Curated by ChEMBL


Assay Description
Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR)


J Med Chem 45: 41-53 (2001)


Article DOI: 10.1021/jm010360c
BindingDB Entry DOI: 10.7270/Q2FQ9VXR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50050420
PNG
(6-[(4-Chloro-phenylamino)-methyl]-5-methyl-pyrido[...)
Show SMILES Cc1c(CNc2ccc(Cl)cc2)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C15H15ClN6/c1-8-9(6-19-11-4-2-10(16)3-5-11)7-20-14-12(8)13(17)21-15(18)22-14/h2-5,7,19H,6H2,1H3,(H4,17,18,20,21,22)
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n/an/a 0.840n/an/an/an/an/an/a



Lindsley F. Kimball Research Institute

Curated by ChEMBL


Assay Description
Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR)


J Med Chem 45: 41-53 (2001)


Article DOI: 10.1021/jm010360c
BindingDB Entry DOI: 10.7270/Q2FQ9VXR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50049156
PNG
((2R,4R)-2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-me...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@H](C[C@@H](F)C(O)=O)C(O)=O
Show InChI InChI=1S/C20H21FN8O5/c1-29(8-10-7-24-16-14(25-10)15(22)27-20(23)28-16)11-4-2-9(3-5-11)17(30)26-13(19(33)34)6-12(21)18(31)32/h2-5,7,12-13H,6,8H2,1H3,(H,26,30)(H,31,32)(H,33,34)(H4,22,23,24,27,28)/t12-,13-/m1/s1
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n/an/a 0.840n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrofolate reductase (DHFR) isolated from CCRF-CEM human leukemia cells in experiment 1


J Med Chem 39: 56-65 (1996)


Article DOI: 10.1021/jm950515e
BindingDB Entry DOI: 10.7270/Q2Q81DR3
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50034929
PNG
(6-[(2,5-Diethoxy-phenylamino)-methyl]-5-methyl-pyr...)
Show SMILES CCOc1ccc(OCC)c(NCc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C19H24N6O2/c1-4-26-13-6-7-15(27-5-2)14(8-13)22-9-12-10-23-18-16(11(12)3)17(20)24-19(21)25-18/h6-8,10,22H,4-5,9H2,1-3H3,(H4,20,21,23,24,25)
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n/an/a 0.840n/an/an/an/an/an/a



Lindsley F. Kimball Research Institute

Curated by ChEMBL


Assay Description
Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR)


J Med Chem 45: 41-53 (2001)


Article DOI: 10.1021/jm010360c
BindingDB Entry DOI: 10.7270/Q2FQ9VXR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50107985
PNG
(6-[(4-Bromo-2-methyl-phenylamino)-methyl]-5-methyl...)
Show SMILES Cc1cc(Br)ccc1NCc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C16H17BrN6/c1-8-5-11(17)3-4-12(8)20-6-10-7-21-15-13(9(10)2)14(18)22-16(19)23-15/h3-5,7,20H,6H2,1-2H3,(H4,18,19,21,22,23)
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n/an/a 0.850n/an/an/an/an/an/a



Lindsley F. Kimball Research Institute

Curated by ChEMBL


Assay Description
Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR)


J Med Chem 45: 41-53 (2001)


Article DOI: 10.1021/jm010360c
BindingDB Entry DOI: 10.7270/Q2FQ9VXR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50107996
PNG
(6-[(5-Fluoro-2-methyl-phenylamino)-methyl]-5-methy...)
Show SMILES Cc1ccc(F)cc1NCc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C16H17FN6/c1-8-3-4-11(17)5-12(8)20-6-10-7-21-15-13(9(10)2)14(18)22-16(19)23-15/h3-5,7,20H,6H2,1-2H3,(H4,18,19,21,22,23)
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n/an/a 0.850n/an/an/an/an/an/a



Lindsley F. Kimball Research Institute

Curated by ChEMBL


Assay Description
Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR)


J Med Chem 45: 41-53 (2001)


Article DOI: 10.1021/jm010360c
BindingDB Entry DOI: 10.7270/Q2FQ9VXR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50107976
PNG
(6-[(9H-Fluoren-2-ylamino)-methyl]-5-methyl-pyrido[...)
Show SMILES Cc1c(CNc2ccc-3c(Cc4ccccc-34)c2)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C22H20N6/c1-12-15(11-26-21-19(12)20(23)27-22(24)28-21)10-25-16-6-7-18-14(9-16)8-13-4-2-3-5-17(13)18/h2-7,9,11,25H,8,10H2,1H3,(H4,23,24,26,27,28)
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n/an/a 0.860n/an/an/an/an/an/a



Lindsley F. Kimball Research Institute

Curated by ChEMBL


Assay Description
Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR)


J Med Chem 45: 41-53 (2001)


Article DOI: 10.1021/jm010360c
BindingDB Entry DOI: 10.7270/Q2FQ9VXR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50050389
PNG
(6-[(2-Methoxy-5-methyl-phenylamino)-methyl]-5-meth...)
Show SMILES COc1ccc(C)cc1NCc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C17H20N6O/c1-9-4-5-13(24-3)12(6-9)20-7-11-8-21-16-14(10(11)2)15(18)22-17(19)23-16/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
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n/an/a 0.860n/an/an/an/an/an/a



Lindsley F. Kimball Research Institute

Curated by ChEMBL


Assay Description
Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR)


J Med Chem 45: 41-53 (2001)


Article DOI: 10.1021/jm010360c
BindingDB Entry DOI: 10.7270/Q2FQ9VXR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50107965
PNG
(6-[(2-Fluoro-5-trifluoromethyl-phenylamino)-methyl...)
Show SMILES Cc1c(CNc2cc(ccc2F)C(F)(F)F)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C16H14F4N6/c1-7-8(6-24-14-12(7)13(21)25-15(22)26-14)5-23-11-4-9(16(18,19)20)2-3-10(11)17/h2-4,6,23H,5H2,1H3,(H4,21,22,24,25,26)
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n/an/a 0.860n/an/an/an/an/an/a



Lindsley F. Kimball Research Institute

Curated by ChEMBL


Assay Description
Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR)


J Med Chem 45: 41-53 (2001)


Article DOI: 10.1021/jm010360c
BindingDB Entry DOI: 10.7270/Q2FQ9VXR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50107979
PNG
(6-[(4-Bromo-3-methyl-phenylamino)-methyl]-5-methyl...)
Show SMILES Cc1cc(NCc2cnc3nc(N)nc(N)c3c2C)ccc1Br
Show InChI InChI=1S/C16H17BrN6/c1-8-5-11(3-4-12(8)17)20-6-10-7-21-15-13(9(10)2)14(18)22-16(19)23-15/h3-5,7,20H,6H2,1-2H3,(H4,18,19,21,22,23)
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n/an/a 0.870n/an/an/an/an/an/a



Lindsley F. Kimball Research Institute

Curated by ChEMBL


Assay Description
Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR)


J Med Chem 45: 41-53 (2001)


Article DOI: 10.1021/jm010360c
BindingDB Entry DOI: 10.7270/Q2FQ9VXR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50108001
PNG
(6-[(2-Difluoromethoxy-phenylamino)-methyl]-5-methy...)
Show SMILES Cc1c(CNc2ccccc2OC(F)F)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C16H16F2N6O/c1-8-9(7-22-14-12(8)13(19)23-16(20)24-14)6-21-10-4-2-3-5-11(10)25-15(17)18/h2-5,7,15,21H,6H2,1H3,(H4,19,20,22,23,24)
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n/an/a 0.870n/an/an/an/an/an/a



Lindsley F. Kimball Research Institute

Curated by ChEMBL


Assay Description
Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR)


J Med Chem 45: 41-53 (2001)


Article DOI: 10.1021/jm010360c
BindingDB Entry DOI: 10.7270/Q2FQ9VXR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50108003
PNG
(6-(Isoquinolin-5-ylaminomethyl)-5-methyl-pyrido[2,...)
Show SMILES Cc1c(CNc2cccc3cnccc23)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C18H17N7/c1-10-12(9-23-17-15(10)16(19)24-18(20)25-17)8-22-14-4-2-3-11-7-21-6-5-13(11)14/h2-7,9,22H,8H2,1H3,(H4,19,20,23,24,25)
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n/an/a 0.870n/an/an/an/an/an/a



Lindsley F. Kimball Research Institute

Curated by ChEMBL


Assay Description
Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR)


J Med Chem 45: 41-53 (2001)


Article DOI: 10.1021/jm010360c
BindingDB Entry DOI: 10.7270/Q2FQ9VXR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50107970
PNG
(5-Ethyl-6-[(2-methoxy-5-trifluoromethyl-phenylamin...)
Show SMILES CCc1c(CNc2cc(ccc2OC)C(F)(F)F)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C18H19F3N6O/c1-3-11-9(8-25-16-14(11)15(22)26-17(23)27-16)7-24-12-6-10(18(19,20)21)4-5-13(12)28-2/h4-6,8,24H,3,7H2,1-2H3,(H4,22,23,25,26,27)
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n/an/a 0.880n/an/an/an/an/an/a



Lindsley F. Kimball Research Institute

Curated by ChEMBL


Assay Description
Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR)


J Med Chem 45: 41-53 (2001)


Article DOI: 10.1021/jm010360c
BindingDB Entry DOI: 10.7270/Q2FQ9VXR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50107990
PNG
(CHEMBL359144 | xv5-Methyl-6-(pyren-1-ylaminomethyl...)
Show SMILES Cc1c(CNc2ccc3ccc4cccc5ccc2c3c45)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C25H20N6/c1-13-17(12-29-24-20(13)23(26)30-25(27)31-24)11-28-19-10-8-16-6-5-14-3-2-4-15-7-9-18(19)22(16)21(14)15/h2-10,12,28H,11H2,1H3,(H4,26,27,29,30,31)
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n/an/a 0.880n/an/an/an/an/an/a



Lindsley F. Kimball Research Institute

Curated by ChEMBL


Assay Description
Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR)


J Med Chem 45: 41-53 (2001)


Article DOI: 10.1021/jm010360c
BindingDB Entry DOI: 10.7270/Q2FQ9VXR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50107980
PNG
(6-[(2,5-Dichloro-phenylamino)-methyl]-5-methyl-pyr...)
Show SMILES Cc1c(CNc2cc(Cl)ccc2Cl)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C15H14Cl2N6/c1-7-8(5-20-11-4-9(16)2-3-10(11)17)6-21-14-12(7)13(18)22-15(19)23-14/h2-4,6,20H,5H2,1H3,(H4,18,19,21,22,23)
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n/an/a 0.890n/an/an/an/an/an/a



Lindsley F. Kimball Research Institute

Curated by ChEMBL


Assay Description
Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR)


J Med Chem 45: 41-53 (2001)


Article DOI: 10.1021/jm010360c
BindingDB Entry DOI: 10.7270/Q2FQ9VXR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50107993
PNG
(6-[(3-Chloro-4-methyl-phenylamino)-methyl]-5-methy...)
Show SMILES Cc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)cc1Cl
Show InChI InChI=1S/C16H17ClN6/c1-8-3-4-11(5-12(8)17)20-6-10-7-21-15-13(9(10)2)14(18)22-16(19)23-15/h3-5,7,20H,6H2,1-2H3,(H4,18,19,21,22,23)
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n/an/a 0.900n/an/an/an/an/an/a



Lindsley F. Kimball Research Institute

Curated by ChEMBL


Assay Description
Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR)


J Med Chem 45: 41-53 (2001)


Article DOI: 10.1021/jm010360c
BindingDB Entry DOI: 10.7270/Q2FQ9VXR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50107981
PNG
(6-[(2,5-Difluoro-phenylamino)-methyl]-5-methyl-pyr...)
Show SMILES Cc1c(CNc2cc(F)ccc2F)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C15H14F2N6/c1-7-8(5-20-11-4-9(16)2-3-10(11)17)6-21-14-12(7)13(18)22-15(19)23-14/h2-4,6,20H,5H2,1H3,(H4,18,19,21,22,23)
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n/an/a 0.900n/an/an/an/an/an/a



Lindsley F. Kimball Research Institute

Curated by ChEMBL


Assay Description
Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR)


J Med Chem 45: 41-53 (2001)


Article DOI: 10.1021/jm010360c
BindingDB Entry DOI: 10.7270/Q2FQ9VXR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50078464
PNG
(6-[(2-Chloro-phenylamino)-methyl]-5-methyl-pyrido[...)
Show SMILES Cc1c(CNc2ccccc2Cl)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C15H15ClN6/c1-8-9(6-19-11-5-3-2-4-10(11)16)7-20-14-12(8)13(17)21-15(18)22-14/h2-5,7,19H,6H2,1H3,(H4,17,18,20,21,22)
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n/an/a 0.910n/an/an/an/an/an/a



Lindsley F. Kimball Research Institute

Curated by ChEMBL


Assay Description
Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR)


J Med Chem 45: 41-53 (2001)


Article DOI: 10.1021/jm010360c
BindingDB Entry DOI: 10.7270/Q2FQ9VXR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50107978
PNG
(6-[(3-Methoxy-biphenyl-4-ylamino)-methyl]-5-methyl...)
Show SMILES COc1cc(ccc1NCc1cnc2nc(N)nc(N)c2c1C)-c1ccccc1
Show InChI InChI=1S/C22H22N6O/c1-13-16(12-26-21-19(13)20(23)27-22(24)28-21)11-25-17-9-8-15(10-18(17)29-2)14-6-4-3-5-7-14/h3-10,12,25H,11H2,1-2H3,(H4,23,24,26,27,28)
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n/an/a 0.910n/an/an/an/an/an/a



Lindsley F. Kimball Research Institute

Curated by ChEMBL


Assay Description
Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR)


J Med Chem 45: 41-53 (2001)


Article DOI: 10.1021/jm010360c
BindingDB Entry DOI: 10.7270/Q2FQ9VXR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50107991
PNG
(6-[(3-Fluoro-4-methoxy-phenylamino)-methyl]-5-meth...)
Show SMILES COc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)cc1F
Show InChI InChI=1S/C16H17FN6O/c1-8-9(6-20-10-3-4-12(24-2)11(17)5-10)7-21-15-13(8)14(18)22-16(19)23-15/h3-5,7,20H,6H2,1-2H3,(H4,18,19,21,22,23)
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n/an/a 0.910n/an/an/an/an/an/a



Lindsley F. Kimball Research Institute

Curated by ChEMBL


Assay Description
Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR)


J Med Chem 45: 41-53 (2001)


Article DOI: 10.1021/jm010360c
BindingDB Entry DOI: 10.7270/Q2FQ9VXR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50050404
PNG
(6-[(2,5-Dimethyl-phenylamino)-methyl]-5-methyl-pyr...)
Show SMILES Cc1ccc(C)c(NCc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C17H20N6/c1-9-4-5-10(2)13(6-9)20-7-12-8-21-16-14(11(12)3)15(18)22-17(19)23-16/h4-6,8,20H,7H2,1-3H3,(H4,18,19,21,22,23)
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n/an/a 0.920n/an/an/an/an/an/a



Lindsley F. Kimball Research Institute

Curated by ChEMBL


Assay Description
Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR)


J Med Chem 45: 41-53 (2001)


Article DOI: 10.1021/jm010360c
BindingDB Entry DOI: 10.7270/Q2FQ9VXR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50042351
PNG
(6-[(3,4-Dichloro-phenylamino)-methyl]-5-methyl-pyr...)
Show SMILES Cc1c(CNc2ccc(Cl)c(Cl)c2)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C15H14Cl2N6/c1-7-8(5-20-9-2-3-10(16)11(17)4-9)6-21-14-12(7)13(18)22-15(19)23-14/h2-4,6,20H,5H2,1H3,(H4,18,19,21,22,23)
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n/an/a 0.920n/an/an/an/an/an/a



Lindsley F. Kimball Research Institute

Curated by ChEMBL


Assay Description
Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR)


J Med Chem 45: 41-53 (2001)


Article DOI: 10.1021/jm010360c
BindingDB Entry DOI: 10.7270/Q2FQ9VXR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50107986
PNG
(6-[(3-Methoxy-4-propoxy-phenylamino)-methyl]-5-met...)
Show SMILES CCCOc1ccc(NCc2cnc3nc(N)nc(N)c3c2C)cc1OC
Show InChI InChI=1S/C19H24N6O2/c1-4-7-27-14-6-5-13(8-15(14)26-3)22-9-12-10-23-18-16(11(12)2)17(20)24-19(21)25-18/h5-6,8,10,22H,4,7,9H2,1-3H3,(H4,20,21,23,24,25)
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n/an/a 0.930n/an/an/an/an/an/a



Lindsley F. Kimball Research Institute

Curated by ChEMBL


Assay Description
Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR)


J Med Chem 45: 41-53 (2001)


Article DOI: 10.1021/jm010360c
BindingDB Entry DOI: 10.7270/Q2FQ9VXR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50050412
PNG
(5-Methyl-6-[(5,6,7,8-tetrahydro-naphthalen-1-ylami...)
Show SMILES Cc1c(CNc2cccc3CCCCc23)cnc2nc(N)nc(N)c12
Show InChI InChI=1S/C19H22N6/c1-11-13(10-23-18-16(11)17(20)24-19(21)25-18)9-22-15-8-4-6-12-5-2-3-7-14(12)15/h4,6,8,10,22H,2-3,5,7,9H2,1H3,(H4,20,21,23,24,25)
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n/an/a 0.930n/an/an/an/an/an/a



Lindsley F. Kimball Research Institute

Curated by ChEMBL


Assay Description
Antimycobacterial activity against Mycobacterium avium complex diihydrofolate reductase (MAC DHFR)


J Med Chem 45: 41-53 (2001)


Article DOI: 10.1021/jm010360c
BindingDB Entry DOI: 10.7270/Q2FQ9VXR
More data for this
Ligand-Target Pair
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