BindingDB PrimarySearch

null

SMILES: CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O

InChI Key: InChIKey=FBOZXECLQNJBKD-ZDUSSCGKSA-N

PDB links: 80 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 269 hits for monomerid = 18050
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	0.000340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Sassari Curated by ChEMBL					Assay Description Inhibition of human DHFR by spectrophotometric analysis				J Med Chem 55: 8318-29 (2012) Article DOI: 10.1021/jm300563f BindingDB Entry DOI: 10.7270/Q2R49RXF
Universita` degli Studi di Sassari Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Escherichia coli)	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.00100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli DHFR				ACS Med Chem Lett 7: 692-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00120 BindingDB Entry DOI: 10.7270/Q2DJ5HKK
University of Connecticut Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB PubMed	0.00120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory activity against Wild-type human DHFR				J Med Chem 38: 745-52 (1995) BindingDB Entry DOI: 10.7270/Q2JQ11PK
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	0.00300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Inhibition of recombinant human DHFR assessed as reduction in NADPH oxidation using dihydrofolate as substrate by fluorescence spectrophotometric ana...				ACS Med Chem Lett 7: 692-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00120 BindingDB Entry DOI: 10.7270/Q2DJ5HKK
University of Connecticut Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	0.00320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition of dihydrofolate reductase enzyme				J Med Chem 25: 1227-30 (1983) BindingDB Entry DOI: 10.7270/Q2WW7J72
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Lactobacillus casei)	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	0.00400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition constant of compound against L. casei Dihydrofolate reductase				J Med Chem 27: 1672-6 (1985) BindingDB Entry DOI: 10.7270/Q2G73CQG
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	0.00400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity against Dihydrofolate reductase of L1210 cells				J Med Chem 29: 1056-61 (1986) BindingDB Entry DOI: 10.7270/Q2P55MHM
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	0.00430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase in mouse L1210 cells				J Med Chem 25: 182-7 (1982) BindingDB Entry DOI: 10.7270/Q2KS6QJZ
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	0.00480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Compound was evaluated in vitro for the inhibition of dihydrofolate reductase (DHFR) in L1210 cells				J Med Chem 35: 3002-6 (1992) BindingDB Entry DOI: 10.7270/Q2MP527Z
Southern Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	0.00482	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Inhibitory activity of Dihydrofolate reductase in L1210 cells				J Med Chem 36: 4161-71 (1994) BindingDB Entry DOI: 10.7270/Q2BC3XNB
Southern Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	0.00500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of Dihydrofolate reductase at concentration ranged from 0.15-0.50 uM				J Med Chem 41: 5310-9 (1999) Article DOI: 10.1021/jm980477+ BindingDB Entry DOI: 10.7270/Q2542P85
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	0.00528	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description The compound was tested for its inhibitory activity against Dihydrofolate reductase derived from L1210 cells.				J Med Chem 35: 332-7 (1992) BindingDB Entry DOI: 10.7270/Q2N58KBS
Southern Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	0.00545	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Evaluated for inhibition of dihydrofolate reductase (DHFR) isolated from L1210 cells				J Med Chem 31: 2164-9 (1988) BindingDB Entry DOI: 10.7270/Q25H7F8Z
Southern Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	0.00548	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory effect on dihydrofolate reductase (DHFR) from L1210 cells at Inhibitory constant (n=3)				J Med Chem 29: 1080-7 (1986) BindingDB Entry DOI: 10.7270/Q2416XMQ
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	0.00581	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Dihydrofolate reductase in L1210 cell in mice				J Med Chem 28: 1016-25 (1985) BindingDB Entry DOI: 10.7270/Q2BP01TS
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	0.00600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibitory activity of Dihydrofolate reductase derived from L1210 cell line.				J Med Chem 33: 673-7 (1990) BindingDB Entry DOI: 10.7270/Q2T43S3F
SRI International Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	0.00600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Dihydrofolate reductase in L1210 cell in mice				J Med Chem 28: 1016-25 (1985) BindingDB Entry DOI: 10.7270/Q2BP01TS
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	0.00600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against L1210 dihydrofolate reductase in rodent neoplastic cells				J Med Chem 25: 877-80 (1982) BindingDB Entry DOI: 10.7270/Q23F4Q6X
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	0.00600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibition of the dihydrofolate reductase enzyme(DHFR) derived from L1210 murine leukemia cells.				J Med Chem 35: 320-4 (1992) BindingDB Entry DOI: 10.7270/Q2WQ02RM
SRI International Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	0.00600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Inhibition of Dihydrofolate reductase (DHFR) enzyme derived from L1210 cells expressed as Ki (pM)				J Med Chem 36: 2228-31 (1993) BindingDB Entry DOI: 10.7270/Q23N22FH
SRI International Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Pneumocystis carinii)	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	0.00800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Binding affinity of the compound was reported with purified recombinant P. carnii Dihydrofolate reductase				J Med Chem 38: 4739-59 (1996) BindingDB Entry DOI: 10.7270/Q26D5S01
Indiana University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Escherichia coli)	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	0.0210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against Dihydrofolate reductase of Escherichia coli				J Med Chem 28: 303-11 (1985) BindingDB Entry DOI: 10.7270/Q2J966Z0
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB PubMed	0.0380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibitory activity against Trypanosoma cruzi dihydrofolate reductase				Bioorg Med Chem Lett 9: 1463-8 (1999) BindingDB Entry DOI: 10.7270/Q2BZ657V
Cardiff University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory activity against Leu22-Phe mutant human Dihydrofolate reductase				J Med Chem 38: 745-52 (1995) BindingDB Entry DOI: 10.7270/Q2JQ11PK
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bifunctional dihydrofolate reductase-thymidylate synthase (Leishmania major)	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	0.129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of dihydrofolate reductase (DHFR) from Leishmania major				J Med Chem 30: 1218-24 (1987) Checked by Author BindingDB Entry DOI: 10.7270/Q21V5FJ0
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB PubMed	0.179	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cardiff University Curated by ChEMBL					Assay Description Inhibitory activity against dihydrofolate reductase in humans				Bioorg Med Chem Lett 9: 1463-8 (1999) BindingDB Entry DOI: 10.7270/Q2BZ657V
Cardiff University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Staphylococcus aureus)	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus DHFR				ACS Med Chem Lett 7: 692-6 (2016) Article DOI: 10.1021/acsmedchemlett.6b00120 BindingDB Entry DOI: 10.7270/Q2DJ5HKK
University of Connecticut Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Pteridine reductase 1 (Leishmania major)	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Leishmania major recombinant PTR1				J Med Chem 53: 221-9 (2010) Article DOI: 10.1021/jm901059x BindingDB Entry DOI: 10.7270/Q2H132XP
University of Dundee Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Pteridine reductase 1 (Leishmania major)	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Sassari Curated by ChEMBL					Assay Description Inhibition of Leishmania major PTR1 by spectrophotometric assay				J Med Chem 55: 8318-29 (2012) Article DOI: 10.1021/jm300563f BindingDB Entry DOI: 10.7270/Q2R49RXF
Universita` degli Studi di Sassari Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Escherichia coli)	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Thermodynamic Dissociation Constant for compound-Tyr31-dihydrofolate reductase (DHFR) complex at pH 9.5				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
Pennsylvania State University Curated by ChEMBL					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Sassari Curated by ChEMBL					Assay Description Inhibition of human TS by spectrophotometric analysis				J Med Chem 55: 8318-29 (2012) Article DOI: 10.1021/jm300563f BindingDB Entry DOI: 10.7270/Q2R49RXF
Universita` degli Studi di Sassari Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Escherichia coli)	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	2.40E+3	-7.66	n/a	n/a	n/a	n/a	n/a	5.5	25
Pennsylvania State University Curated by ChEMBL					Assay Description Thermodynamic Dissociation Constant for compound-Val31-dihydrofolate reductase (DHFR) complex at pH 7				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
Pennsylvania State University Curated by ChEMBL					More data for this Ligand-Target Pair
Reduced folate transporter (Homo sapiens (Human))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Affinity towards RFC measured by the inhibition of [3H]-MTX uptake				J Med Chem 43: 1910-26 (2000) BindingDB Entry DOI: 10.7270/Q2KP81DM
Institute of Cancer Research Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Binding affinity of the compound towards Dihydrofolate reductase derived from L1210 cells using [3H]- MTX as the radioligand				J Med Chem 33: 212-5 (1990) BindingDB Entry DOI: 10.7270/Q2FX78FR
SRI International Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Mus musculus (Mouse))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Binding affinity of the compound towards Dihydrofolate reductase derived from L1210 cells using [3H]- MTX as the radioligand				J Med Chem 33: 212-5 (1990) BindingDB Entry DOI: 10.7270/Q2FX78FR
SRI International Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	4.42E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Sassari Curated by ChEMBL					Assay Description Inhibition of human dihydrofolate reductase				Eur J Med Chem 43: 189-203 (2008) Article DOI: 10.1016/j.ejmech.2007.03.035 BindingDB Entry DOI: 10.7270/Q27P8Z43
Università degli Studi di Sassari Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Thymidylate synthase (Mus musculus)	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against thymidylate synthase in murine tumor cells				J Med Chem 25: 518-22 (1982) BindingDB Entry DOI: 10.7270/Q2BC3XKF
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
ATP-binding cassette sub-family C member 3 (Rattus norvegicus)	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of E217betaG uptake in membrane vesicles from Mrp3-expressing Sf9 cells				Pharm Res 19: 34-41 (2002) BindingDB Entry DOI: 10.7270/Q2G44RCW
The University of Tokyo Curated by ChEMBL					More data for this Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase (Homo sapiens (Human))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	9.10E+4	n/a	1.14E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ataturk University					Assay Description Ketotifen, dacarbazine, thiocolchicoside, meloxicam, methotrexate, furosemide, olanzapine, methylprednizolone acetate, paricalcitol, ritodrine hydroc...				J Enzyme Inhib Med Chem 25: 871-5 (2010) Article DOI: 10.3109/14756360903489581 BindingDB Entry DOI: 10.7270/Q24M93D3
Ataturk University					More data for this Ligand-Target Pair
6-phosphogluconate dehydrogenase, decarboxylating (Homo sapiens (Human))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	1.37E+5	n/a	1.42E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ataturk University					Assay Description In order to determine the effects of some drugs on human 6PGD, concentrations of ketotifen (0.0018-0.0282 mM), dacarbazine (0.0049-0.054 mM), meloxic...				J Enzyme Inhib Med Chem 25: 476-9 (2010) Article DOI: 10.3109/14756360903257900 BindingDB Entry DOI: 10.7270/Q21V5CV6
Ataturk University					More data for this Ligand-Target Pair
Folylpolyglutamate synthase, mitochondrial (Mus musculus)	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	1.66E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its ability to inhibit Folyl-polyglutamate synthase from mouse liver				J Med Chem 29: 655-60 (1986) BindingDB Entry DOI: 10.7270/Q2RR1ZTR
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Escherichia coli)	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	MMDB NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pennsylvania State University Curated by ChEMBL					Assay Description Thermodynamic Dissociation Constant for compound-Phe31-dihydrofolate reductase (DHFR) complex at pH 8.5				J Med Chem 31: 129-37 (1988) BindingDB Entry DOI: 10.7270/Q2MP53VF
Pennsylvania State University Curated by ChEMBL					More data for this Ligand-Target Pair
Solute carrier organic anion transporter family member (Danio rerio (Zebrafish))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.22E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rudjer Boskovic Institute					Assay Description In the inhibition experiments, the cells were preincubated for 20 s with test compounds, followed by a 5-min incubation with [3H]E3S (5 nM) or 30-min...				J Biol Chem 288: 33894-911 (2013) Article DOI: 10.1074/jbc.M113.518506 BindingDB Entry DOI: 10.7270/Q29Z93RK
Rudjer Boskovic Institute					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 2 (Rattus norvegicus)	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	2.36E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toho University School of Pharmaceutical Sciences Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of DNP-SG uptake in bile canalicular membrane vesicles from SD rat				Cancer Res 57: 3506-10 (1997) BindingDB Entry DOI: 10.7270/Q2571D9Z
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 2 (Rattus norvegicus)	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	3.26E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toho University School of Pharmaceutical Sciences Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of L-MTX uptake in bile canalicular membrane vesicles from SD rat				Cancer Res 57: 3506-10 (1997) BindingDB Entry DOI: 10.7270/Q2571D9Z
					More data for this Ligand-Target Pair
Solute carrier family 22 member 20 (Mus musculus)	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.97E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr				J Biol Chem 282: 23841-53 (2007) Article DOI: 10.1074/jbc.M703467200 BindingDB Entry DOI: 10.7270/Q2W95B35
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Solute carrier family 22 member 6 (Mus musculus)	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	8.91E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr				J Biol Chem 282: 23841-53 (2007) Article DOI: 10.1074/jbc.M703467200 BindingDB Entry DOI: 10.7270/Q2W95B35
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
ABC-type glutathione-S-conjugate transporter (Homo sapiens (Human))	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	1.20E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of E217betaG uptake in membrane vesicle from MRP3-expressing Sf9 cells				Pharm Res 19: 34-41 (2002) BindingDB Entry DOI: 10.7270/Q2G44RCW
The University of Tokyo Curated by ChEMBL					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bacillus anthracis)	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis DHFR				Antimicrob Agents Chemother 53: 3065-73 (2009) Article DOI: 10.1128/AAC.01666-08 BindingDB Entry DOI: 10.7270/Q2J67HXM
Oklahoma State University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Bacillus anthracis)	BDBM18050 (2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Oklahoma State University Curated by ChEMBL					Assay Description Inhibition of Bacillus anthracis DHFR				Antimicrob Agents Chemother 53: 3065-73 (2009) Article DOI: 10.1128/AAC.01666-08 BindingDB Entry DOI: 10.7270/Q2J67HXM
Oklahoma State University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

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