BindingDB BDBM18069 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine::CHEMBL22::TMP::Trimethoprim::Trimethoprim (TMP)::US10870625, Compound TMP

BDBM18069 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine::CHEMBL22::TMP::Trimethoprim::Trimethoprim (TMP)::US10870625, Compound TMP

SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC

InChI Key InChIKey=IEDVJHCEMCRBQM-UHFFFAOYSA-N

Data 54 KI 225 IC50 1 EC50

PDB links: 28 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 18069

Dihydrofolate reductase(Pneumocystis carinii)
Southern Research Institute

Curated by ChEMBL

BDBM18069(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)

IC50: 1.20E+4nMAssay Description:Inhibitory activity against Pneumocystis carinii dihydrofolate reductaseMore data for this Ligand-Target Pair

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3D Structure (crystal)

Bifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Southern Research Institute

Curated by ChEMBL

BDBM18069(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)

IC50: 2.73E+3nMAssay Description:Inhibitory activity against Toxoplasma gondii dihydrofolate reductaseMore data for this Ligand-Target Pair

PDB
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Dihydrofolate reductase(Rattus norvegicus (rat))
Southern Research Institute

Curated by ChEMBL

BDBM18069(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)

IC50: 1.33E+5nMAssay Description:Inhibitory activity of the compound against rat liver dihydrofolate reductaseMore data for this Ligand-Target Pair

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3D Structure (crystal)

Bifunctional dihydrofolate reductase-thymidylate synthase(Toxoplasma gondii)
Southern Research Institute

Curated by ChEMBL

BDBM18069(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)

IC50: 2.73E+3nMAssay Description:Inhibition of Toxoplasma gondii DHFRMore data for this Ligand-Target Pair

PDB
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GoogleScholar

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Dihydrofolate reductase(Mycobacterium avium)
Southern Research Institute

Curated by ChEMBL

BDBM18069(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)

IC50: 190nMAssay Description:Inhibition of Mycobacterium avium DHFRMore data for this Ligand-Target Pair

PDB MMDB
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3D Structure (crystal)

Dihydrofolate reductase(Lactobacillus casei)
Southern Research Institute

Curated by ChEMBL

BDBM18069(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)

IC50: 620nMAssay Description:Inhibition of Lactobacillus casei DHFRMore data for this Ligand-Target Pair

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Dihydrofolate reductase(Pneumocystis carinii)
Southern Research Institute

Curated by ChEMBL

BDBM18069(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)

IC50: 1.20E+4nMAssay Description:Inhibition of Pneumocystis carinii DHFRMore data for this Ligand-Target Pair

PDB MMDB
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CHEMBL DrugBank MCE
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3D Structure (crystal)

Dihydrofolate reductase(Rattus norvegicus (rat))
Southern Research Institute

Curated by ChEMBL

BDBM18069(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)

IC50: 1.33E+5nMAssay Description:Inhibition of rat liver DHFRMore data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar

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3D Structure (crystal)

Filter my 276 hits

Targets 14▿
- Dihydrofolate reductase 204
- Bifunctional dihydrofolate reductase-thymidylate synthase 55
- Potassium voltage-gated channel subfamily H member 2 3
- Bile salt export pump 3
- Solute carrier family 22 member 1 2
- ATP-binding cassette sub-family C member 3 1
- ATP-binding cassette sub-family C member 4 1
- Dihydrofolate reductase type 1 from Tn4003 1
- Dihydrofolate reductase [F98Y] 1
- ATP-binding cassette sub-family C member 2 1
- Trace amine-associated receptor 5 1
- Protein-arginine deiminase type-4 1
- Cytochrome P450 2J2 1
- NH(3)-dependent NAD(+) synthetase 1
Publications 50▿
- J Med Chem 47: 2475-85 (2004) 7
- J Med Chem 41: 3426-34 (1998) 7
- J Med Chem 47: 1475-86 (2004) 7
- J Med Chem 50: 3046-3053 (2007) 6
- J Med Chem 46: 2304-12 (2003) 6
- Bioorg Med Chem Lett 13: 4217-21 (2003) 5
- J Med Chem 50: 3283-9 (2007) 5
- J Med Chem 42: 4300-12 (1999) 4
- Cell Chem Biol 23: 1458-1467 (2016) 4
- J Med Chem 46: 1726-36 (2003) 4
- Eur J Med Chem 210: (2021) 4
- J Med Chem 42: 4853-60 (1999) 4
- J Med Chem 48: 4420-31 (2005) 4
- Bioorg Med Chem 18: 953-61 (2010) 4
- J Med Chem 47: 345-54 (2004) 4
- J Med Chem 25: 435-40 (1982) 4
- Interscience Conference on Antimicrobial Agents in Chemotherapy 1-1 (2006) 4
- J Med Chem 45: 1244-52 (2002) 4
- J Med Chem 45: 5173-81 (2002) 4
- Toxicol Sci 136: 216-41 (2013) 4
- J Med Chem 38: 1778-85 (1995) 4
- J Med Chem 45: 233-41 (2001) 4
- J Med Chem 40: 1173-7 (1997) 3
- J Med Chem 51: 6195-200 (2008) 3
- J Med Chem 41: 1263-71 (1998) 3
- Bioorg Med Chem Lett 13: 2493-6 (2003) 3
- J Med Chem 41: 913-8 (1998) 3
- J Med Chem 46: 591-600 (2003) 3
- J Med Chem 40: 479-85 (1997) 3
- J Med Chem 39: 1271-80 (1996) 3
- J Med Chem 39: 1438-46 (1996) 3
- Antimicrob Agents Chemother 48: 4643-9 (2004) 3
- J Med Chem 51: 68-76 (2008) 3
- J Med Chem 38: 3660-8 (1995) 3
- J Med Chem 42: 2447-55 (1999) 3
- J Med Chem 39: 1836-45 (1996) 3
- J Med Chem 38: 2615-20 (1995) 3
- J Med Chem 44: 1993-2003 (2001) 3
- J Med Chem 23: 535-41 (1980) 3
- J Med Chem 37: 4522-8 (1995) 3
- J Med Chem 51: 5789-97 (2008) 3
- J Med Chem 44: 2391-402 (2001) 3
- Bioorg Med Chem Lett 16: 4366-70 (2006) 3
- J Med Chem 51: 4589-600 (2008) 3
- J Med Chem 42: 1007-17 (1999) 3
- J Med Chem 40: 3694-9 (1997) 3
- J Med Chem 41: 1409-16 (1998) 3
- J Med Chem 36: 3437-43 (1993) 3
- J Med Chem 38: 745-52 (1995) 3
- J Med Chem 52: 4892-902 (2009) 3
- ...
Institutions 17▿
- Duquesne University 73
- Harvard Medical School 42
- Southern Research Institute 8
- National Center For Genetic Engineering And Biotechnology At Thailand 8
- TBA 7
- Institute 6
- F. Hoffmann-La Roche 6
- Gsk 5
- Comsats University Islamabad 4
- Arpida 4
- Amgen 4
- University Of Connecticut 4
- Cardiff University 4
- Oklahoma State University At Stillwater 3
- Uppsala University 3
- Mcmaster University 3
- Dartmouth College 3
- ...
Affinity: 0.0060 to 7.5E+6 nM▿
- Ki 54
- IC50 225
- EC50 1
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 3
Catalog Cmpds: 1