BDBM50049905 7-(1-Ethyl-propyl)-8-methyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine::CHEMBL170758::TCMDC-137283
SMILES: CCC(CC)n1c(C)cc2c1ccc1nc(N)nc(N)c21
InChI Key: InChIKey=YBHNZQJIFKDDHM-UHFFFAOYSA-N
Data: 4 KI
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) (Candida albicans) | BDBM50049905 (7-(1-Ethyl-propyl)-8-methyl-7H-pyrrolo[3,2-f]quina...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wellcome Research Laboratories Curated by ChEMBL | Assay Description Inhibition of Dihydrofolate reductase enzyme from Candida albicans | J Med Chem 39: 892-903 (1996) Article DOI: 10.1021/jm9505122 BindingDB Entry DOI: 10.7270/Q2XD10RC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate Reductase (DHFR) (Candida albicans) | BDBM50049905 (7-(1-Ethyl-propyl)-8-methyl-7H-pyrrolo[3,2-f]quina...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oregon Health& Science University Curated by ChEMBL | Assay Description Competitive inhibition of Candida albicans DHFR preincubated for 2 mins followed by substrate addition in presence of dihydrofolate | Medchemcomm 6: 510-520 (2015) BindingDB Entry DOI: 10.7270/Q2QN68NS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Homo sapiens (Human)) | BDBM50049905 (7-(1-Ethyl-propyl)-8-methyl-7H-pyrrolo[3,2-f]quina...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oregon Health& Science University Curated by ChEMBL | Assay Description Competitive inhibition of human recombinant DHFR preincubated for 2 mins followed by substrate addition in presence of dihydrofolate | Medchemcomm 6: 510-520 (2015) BindingDB Entry DOI: 10.7270/Q2QN68NS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Homo sapiens (Human)) | BDBM50049905 (7-(1-Ethyl-propyl)-8-methyl-7H-pyrrolo[3,2-f]quina...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wellcome Research Laboratories Curated by ChEMBL | Assay Description Inhibition of human recombinant Dihydrofolate reductase enzyme | J Med Chem 39: 892-903 (1996) Article DOI: 10.1021/jm9505122 BindingDB Entry DOI: 10.7270/Q2XD10RC | |||||||||||
More data for this Ligand-Target Pair |