Found 30 hits of ki for UniProtKB: P0ABQ4 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Dihydrofolate reductase
(Escherichia coli) | BDBM50405038
(CHEMBL33697)Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(CCCCc2ccc(cc2Cl)S(F)(=O)=O)c(Cl)c1 |t:3,6| Show InChI InChI=1S/C21H24Cl2FN5O2S/c1-21(2)28-19(25)27-20(26)29(21)15-9-7-13(17(22)11-15)5-3-4-6-14-8-10-16(12-18(14)23)32(24,30)31/h7-12H,3-6H2,1-2H3,(H4,25,26,27,28) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 1.02 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from Pneumocystis carinii. |
J Med Chem 38: 967-72 (1995)
BindingDB Entry DOI: 10.7270/Q2Z039BN |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM210929
(UCP1172)Show SMILES CCc1nc(N)nc(N)c1C#C[C@@H](C)c1cc(OC)cc(c1)-c1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C24H24N4O3/c1-4-21-20(22(25)28-24(26)27-21)10-5-14(2)17-11-18(13-19(12-17)31-3)15-6-8-16(9-7-15)23(29)30/h6-9,11-14H,4H2,1-3H3,(H,29,30)(H4,25,26,27,28)/t14-/m1/s1 | PDB
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| PC cid
PC sid
UniChem
| | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50291769
(6,6-Dimethyl-1-(3-nonyl-phenyl)-1,6-dihydro-[1,3,5...)Show SMILES CCCCCCCCCc1cccc(c1)N1C(N)=NC(N)=NC1(C)C |c:18,21| Show InChI InChI=1S/C20H33N5/c1-4-5-6-7-8-9-10-12-16-13-11-14-17(15-16)25-19(22)23-18(21)24-20(25,2)3/h11,13-15H,4-10,12H2,1-3H3,(H4,21,22,23,24) | PDB
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| PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from Pneumocystis carinii. |
J Med Chem 38: 967-72 (1995)
BindingDB Entry DOI: 10.7270/Q2Z039BN |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)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) | PDB
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| PDB
Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
| Assay Description
Inhibition assay using Esherichia coli dihydrofolate reductase (DHFR). |
Chem Biol 11: 1423-30 (2004)
Article DOI: 10.1016/j.chembiol.2004.08.014
BindingDB Entry DOI: 10.7270/Q2639N6G |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Dihydrofolate reductase
(Escherichia coli) | BDBM50291768
(6,6-Dimethyl-1-(3-phenylselanylmethyl-phenyl)-1,6-...)Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(C[Se]c2ccccc2)c1 |t:3,6| Show InChI InChI=1S/C18H21N5Se/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) | PDB
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PC sid
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| PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from Pneumocystis carinii. |
J Med Chem 38: 967-72 (1995)
BindingDB Entry DOI: 10.7270/Q2Z039BN |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50291772
(6,6-Dimethyl-1-[3-(2,4,5-trichloro-phenoxymethyl)-...)Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cc(Cl)c(Cl)cc2Cl)c1 |t:3,6| Show InChI InChI=1S/C18H18Cl3N5O/c1-18(2)25-16(22)24-17(23)26(18)11-5-3-4-10(6-11)9-27-15-8-13(20)12(19)7-14(15)21/h3-8H,9H2,1-2H3,(H4,22,23,24,25) | PDB
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| 7.76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from Pneumocystis carinii. |
J Med Chem 38: 967-72 (1995)
BindingDB Entry DOI: 10.7270/Q2Z039BN |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50608614
(CHEMBL1724189) | PDB
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| | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM18049
(3-({[(4-{[(carbamimidamidomethanimidoyl)sulfanyl]m...)Show InChI InChI=1S/C14H22N8S2/c1-7-3-10(6-24-14(20)22-12(17)18)8(2)4-9(7)5-23-13(19)21-11(15)16/h3-4H,5-6H2,1-2H3,(H5,15,16,19,21)(H5,17,18,20,22) | PDB
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PubMed
| 11.5 | -10.8 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Prince Edward Island
| Assay Description
The oxidation of NADPH was monitored at 340 nm using a Molecular Devices SpectraMax Plus 96-well microtiter plate reading spectrophotometer. Plots we... |
J Med Chem 49: 6977-86 (2006)
Article DOI: 10.1021/jm060570v
BindingDB Entry DOI: 10.7270/Q2T43RCM |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dihydrofolate reductase
(Escherichia coli) | BDBM50291803
(1-(3-Dodecyl-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3...)Show SMILES CCCCCCCCCCCCc1cccc(c1)N1C(N)=NC(N)=NC1(C)C |c:21,24| Show InChI InChI=1S/C23H39N5/c1-4-5-6-7-8-9-10-11-12-13-15-19-16-14-17-20(18-19)28-22(25)26-21(24)27-23(28,2)3/h14,16-18H,4-13,15H2,1-3H3,(H4,24,25,26,27) | PDB
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| 12.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from Pneumocystis carinii. |
J Med Chem 38: 967-72 (1995)
BindingDB Entry DOI: 10.7270/Q2Z039BN |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50090054
(1-(3-Chloro-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,...)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) | PDB
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| 22.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from Pneumocystis carinii. |
J Med Chem 38: 967-72 (1995)
BindingDB Entry DOI: 10.7270/Q2Z039BN |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50130950
(5-(4-Chloro-phenylsulfanyl)-quinazoline-2,4-diamin...)Show InChI InChI=1S/C14H11ClN4S/c15-8-4-6-9(7-5-8)20-11-3-1-2-10-12(11)13(16)19-14(17)18-10/h1-7H,(H4,16,17,18,19) | PDB
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| PDB
Article
PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
| Assay Description
Inhibition assay using Esherichia coli dihydrofolate reductase (DHFR). |
Chem Biol 11: 1423-30 (2004)
Article DOI: 10.1016/j.chembiol.2004.08.014
BindingDB Entry DOI: 10.7270/Q2639N6G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dihydrofolate reductase
(Escherichia coli) | BDBM50291765
(1-{3-[(4-Chloro-phenylamino)-methyl]-phenyl}-6,6-d...)Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(CNc2ccc(Cl)cc2)c1 |t:3,6| Show InChI InChI=1S/C18H21ClN6/c1-18(2)24-16(20)23-17(21)25(18)15-5-3-4-12(10-15)11-22-14-8-6-13(19)7-9-14/h3-10,22H,11H2,1-2H3,(H4,20,21,23,24) | PDB
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| 44.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from Pneumocystis carinii. |
J Med Chem 38: 967-72 (1995)
BindingDB Entry DOI: 10.7270/Q2Z039BN |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50291792
(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) | PDB
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| 45.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from Pneumocystis carinii. |
J Med Chem 38: 967-72 (1995)
BindingDB Entry DOI: 10.7270/Q2Z039BN |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50291767
(1-(3-Ethyl-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,5...)Show InChI InChI=1S/C13H19N5/c1-4-9-6-5-7-10(8-9)18-12(15)16-11(14)17-13(18,2)3/h5-8H,4H2,1-3H3,(H4,14,15,16,17) | PDB
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| 60.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from Pneumocystis carinii. |
J Med Chem 38: 967-72 (1995)
BindingDB Entry DOI: 10.7270/Q2Z039BN |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50291793
(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) | PDB
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PC cid
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| 77.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from Pneumocystis carinii. |
J Med Chem 38: 967-72 (1995)
BindingDB Entry DOI: 10.7270/Q2Z039BN |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50291779
(3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl...)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) | PDB
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| 117 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from Pneumocystis carinii. |
J Med Chem 38: 967-72 (1995)
BindingDB Entry DOI: 10.7270/Q2Z039BN |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM18046
(5-((4-methylphenyl)thio)-quinazoline 2,4-diamine, ...)Show InChI InChI=1S/C15H14N4S/c1-9-5-7-10(8-6-9)20-12-4-2-3-11-13(12)14(16)19-15(17)18-11/h2-8H,1H3,(H4,16,17,18,19) | PDB
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| Article
PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
| Assay Description
Inhibition assay using Esherichia coli dihydrofolate reductase (DHFR). |
Chem Biol 11: 1423-30 (2004)
Article DOI: 10.1016/j.chembiol.2004.08.014
BindingDB Entry DOI: 10.7270/Q2639N6G |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM59168
(5-(4-fluorophenoxy)quinazoline-2,4-diamine, 2b)Show InChI InChI=1S/C14H11FN4O/c15-8-4-6-9(7-5-8)20-11-3-1-2-10-12(11)13(16)19-14(17)18-10/h1-7H,(H4,16,17,18,19) | PDB
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| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
| Assay Description
Inhibition assay using Esherichia coli dihydrofolate reductase (DHFR). |
Chem Biol 11: 1423-30 (2004)
Article DOI: 10.1016/j.chembiol.2004.08.014
BindingDB Entry DOI: 10.7270/Q2639N6G |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50130956
(5-(4-methylphenoxy)quinazoline-2,4-diamine, 2a | 5...)Show InChI InChI=1S/C15H14N4O/c1-9-5-7-10(8-6-9)20-12-4-2-3-11-13(12)14(16)19-15(17)18-11/h2-8H,1H3,(H4,16,17,18,19) | PDB
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PubMed
| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
| Assay Description
Inhibition assay using Esherichia coli dihydrofolate reductase (DHFR). |
Chem Biol 11: 1423-30 (2004)
Article DOI: 10.1016/j.chembiol.2004.08.014
BindingDB Entry DOI: 10.7270/Q2639N6G |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50090067
(6,6-Dimethyl-1-phenyl-1,6-dihydro-[1,3,5]triazine-...)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) | PDB
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| 309 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from Pneumocystis carinii. |
J Med Chem 38: 967-72 (1995)
BindingDB Entry DOI: 10.7270/Q2Z039BN |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50291796
(1-(3-Methoxy-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3...)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) | PDB
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| 347 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from Pneumocystis carinii. |
J Med Chem 38: 967-72 (1995)
BindingDB Entry DOI: 10.7270/Q2Z039BN |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM59166
(6,7-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-dia...)Show InChI InChI=1S/C10H16N4/c1-5-3-7-8(4-6(5)2)13-10(12)14-9(7)11/h5-6H,3-4H2,1-2H3,(H4,11,12,13,14) | PDB
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| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
| Assay Description
Inhibition assay using Esherichia coli dihydrofolate reductase (DHFR). |
Chem Biol 11: 1423-30 (2004)
Article DOI: 10.1016/j.chembiol.2004.08.014
BindingDB Entry DOI: 10.7270/Q2639N6G |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM59167
(6-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine...)Show InChI InChI=1S/C9H14N4/c1-5-2-3-7-6(4-5)8(10)13-9(11)12-7/h5H,2-4H2,1H3,(H4,10,11,12,13) | PDB
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| PC cid
PC sid
PDB
UniChem
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| PDB
Article
PubMed
| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
| Assay Description
Inhibition assay using Esherichia coli dihydrofolate reductase (DHFR). |
Chem Biol 11: 1423-30 (2004)
Article DOI: 10.1016/j.chembiol.2004.08.014
BindingDB Entry DOI: 10.7270/Q2639N6G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dihydrofolate reductase
(Escherichia coli) | BDBM50291775
(3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl...)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) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| PubMed
| 1.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from Pneumocystis carinii. |
J Med Chem 38: 967-72 (1995)
BindingDB Entry DOI: 10.7270/Q2Z039BN |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50291777
(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) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 7.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from Pneumocystis carinii. |
J Med Chem 38: 967-72 (1995)
BindingDB Entry DOI: 10.7270/Q2Z039BN |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50291777
(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) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 7.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from Pneumocystis carinii. |
J Med Chem 38: 967-72 (1995)
BindingDB Entry DOI: 10.7270/Q2Z039BN |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50405053
(CHEMBL284553)Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(cc1)C(N)=O |t:3,6| Show InChI InChI=1S/C12H16N6O/c1-12(2)17-10(14)16-11(15)18(12)8-5-3-7(4-6-8)9(13)19/h3-6H,1-2H3,(H2,13,19)(H4,14,15,16,17) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from Pneumocystis carinii. |
J Med Chem 38: 967-72 (1995)
BindingDB Entry DOI: 10.7270/Q2Z039BN |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50108046
((oxyresveratrol)4-[(E)-2-(3,5-dihydroxyphenyl)viny...)Show InChI InChI=1S/C14H12O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h1-8,15-18H/b2-1+ | PDB
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| Purchase
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| | 3.15E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50608615
(CHEBI:34383 | CHEMBL1162149) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| UniChem
| | 3.59E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50291776
(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) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 7.08E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics Inc.
Curated by ChEMBL
| Assay Description
Inhibition of dihydrofolate reductase from Pneumocystis carinii. |
J Med Chem 38: 967-72 (1995)
BindingDB Entry DOI: 10.7270/Q2Z039BN |
More data for this
Ligand-Target Pair | |
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