BDBM50028122 2-Amino-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one::2-Amino-4a,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one::2-Amino-7H-pyrrolo[2,3-d]pyrimidin-4-ol
SMILES: Nc1nc2[nH]ccc2c(=O)[nH]1
InChI Key: InChIKey=OLAFFPNXVJANFR-UHFFFAOYSA-N
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 |
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Thymidylate Synthase (TS) (Lactobacillus casei) | BDBM50028122 (2-Amino-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MMDB PC cid PC sid PDB UniChem Patents | PubMed | 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Company, Ltd. Curated by ChEMBL | Assay Description Binding affinity against TS | J Med Chem 37: 1616-24 (1994) BindingDB Entry DOI: 10.7270/Q21G0MWV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Mus musculus (Mouse)) | BDBM50028122 (2-Amino-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase MMDB PC cid PC sid PDB UniChem Patents | PubMed | 560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Company, Ltd. Curated by ChEMBL | Assay Description Binding affinity against dihydrofolate reductase | J Med Chem 37: 1616-24 (1994) BindingDB Entry DOI: 10.7270/Q21G0MWV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Xanthine dehydrogenase (Bos taurus (Bovine)) | BDBM50028122 (2-Amino-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase MMDB PC cid PC sid PDB UniChem Patents | PubMed | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound is evaluated for competitive inhibition against xanthine oxidase from cow's milk | J Med Chem 27: 981-5 (1984) BindingDB Entry DOI: 10.7270/Q2R211ZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pteridine reductase 1 (Leishmania major) | BDBM50028122 (2-Amino-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | >2.70E+4 | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ricin (Ricinus communis) | BDBM50028122 (2-Amino-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one ...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase MMDB PC cid PC sid PDB UniChem Patents | PubMed | n/a | n/a | 2.80E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Texas Curated by ChEMBL | Assay Description Inhibitory concentration against Enzymatic A chain of ricin (RTA) using Artemia salina ribosomes | J Med Chem 45: 90-8 (2001) BindingDB Entry DOI: 10.7270/Q2F190F7 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |