BDBM18235 5-{2-[(2,4-diaminopteridin-6-yl)methyl]-2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,9,12,14-heptaen-6-yl}pent-4-ynoic acid::Pteridine analogue, 20
SMILES: Nc1nc(N)c2nc(CN3c4ccccc4C=Cc4cc(ccc34)C#CCCC(O)=O)cnc2n1
InChI Key: InChIKey=NCUGIIAZGZOENL-UHFFFAOYSA-N
Data: 4 IC50
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 (DHFR) (Pneumocystis carinii) | BDBM18235 (5-{2-[(2,4-diaminopteridin-6-yl)methyl]-2-azatricy...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 230 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Harvard Medical School | Assay Description Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to... | J Med Chem 48: 4420-31 (2005) Article DOI: 10.1021/jm0581718 BindingDB Entry DOI: 10.7270/Q2W0946F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Rattus norvegicus (rat)) | BDBM18235 (5-{2-[(2,4-diaminopteridin-6-yl)methyl]-2-azatricy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School | Assay Description Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to... | J Med Chem 48: 4420-31 (2005) Article DOI: 10.1021/jm0581718 BindingDB Entry DOI: 10.7270/Q2W0946F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Mycobacterium avium) | BDBM18235 (5-{2-[(2,4-diaminopteridin-6-yl)methyl]-2-azatricy...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School | Assay Description Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to... | J Med Chem 48: 4420-31 (2005) Article DOI: 10.1021/jm0581718 BindingDB Entry DOI: 10.7270/Q2W0946F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (DHFR) (Toxoplasma gondii) | BDBM18235 (5-{2-[(2,4-diaminopteridin-6-yl)methyl]-2-azatricy...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School | Assay Description Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to... | J Med Chem 48: 4420-31 (2005) Article DOI: 10.1021/jm0581718 BindingDB Entry DOI: 10.7270/Q2W0946F | |||||||||||
More data for this Ligand-Target Pair |