BDBM50135141 6-[(2,5-Dichloro-phenylamino)-methyl]-pyrido[2,3-d]pyrimidine-2,4-diamine::6-{[(2,5-dichlorophenyl)amino]methyl}pyrido[2,3-d]pyrimidine-2,4-diamine::CHEMBL145979
SMILES: Nc1nc(N)c2cc(CNc3cc(Cl)ccc3Cl)cnc2n1
InChI Key: InChIKey=RSPDQFOJWPXTPN-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Dihydrofolate Reductase (DHFR) (Pneumocystis carinii) | BDBM50135141 (6-[(2,5-Dichloro-phenylamino)-methyl]-pyrido[2,3-d...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans Curated by ChEMBL | Assay Description Inhibition of recombinant Pneumocystis carinii DHFR expressed in Escherichia coli Rosetta Gami B (DE3) by spectrophotometric assay | Eur J Med Chem 95: 76-95 (2015) Article DOI: 10.1016/j.ejmech.2015.03.029 BindingDB Entry DOI: 10.7270/Q2PR7XP6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Homo sapiens (Human)) | BDBM50135141 (6-[(2,5-Dichloro-phenylamino)-methyl]-pyrido[2,3-d...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans Curated by ChEMBL | Assay Description Inhibition of recombinant human DHFR expressed in Escherichia coli Rosetta Gami B (DE3) by spectrophotometric assay | Eur J Med Chem 95: 76-95 (2015) Article DOI: 10.1016/j.ejmech.2015.03.029 BindingDB Entry DOI: 10.7270/Q2PR7XP6 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dihydrofolate Reductase (DHFR) (Escherichia coli) | BDBM50135141 (6-[(2,5-Dichloro-phenylamino)-methyl]-pyrido[2,3-d...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay Description Inhibition of dihydrofolate reductase from pneumocystis carinii. | J Med Chem 46: 5074-82 (2003) Article DOI: 10.1021/jm030312n BindingDB Entry DOI: 10.7270/Q2J38RZ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Rattus norvegicus (rat)) | BDBM50135141 (6-[(2,5-Dichloro-phenylamino)-methyl]-pyrido[2,3-d...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 6.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay Description Inhibition of dihydrofolate reductase from rat liver. | J Med Chem 46: 5074-82 (2003) Article DOI: 10.1021/jm030312n BindingDB Entry DOI: 10.7270/Q2J38RZ9 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dihydrofolate Reductase (DHFR) (Escherichia coli) | BDBM50135141 (6-[(2,5-Dichloro-phenylamino)-methyl]-pyrido[2,3-d...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Curated by ChEMBL | Assay Description Inhibition of dihydrofolate reductase from toxoplasma gondii. | J Med Chem 46: 5074-82 (2003) Article DOI: 10.1021/jm030312n BindingDB Entry DOI: 10.7270/Q2J38RZ9 | |||||||||||
More data for this Ligand-Target Pair |