BDBM50203246 CHEMBL3953119
SMILES: Nc1ncc(N2CCN(CC2)c2cccc(c2)-c2ccccc2)c(N)n1
InChI Key: InChIKey=MDKTZILMEGSDQH-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 (Homo sapiens (Human)) | BDBM50203246 (CHEMBL3953119) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 760 | n/a | n/a | n/a | n/a | n/a | n/a |
Turing Pharmaceuticals AG Curated by ChEMBL | Assay Description Inhibition of recombinant human DHFR expressed in Escherichia coli preincubated for 15 mins followed by addition of DHF as substrate and NADPH measur... | ACS Med Chem Lett 7: 1124-1129 (2016) Article DOI: 10.1021/acsmedchemlett.6b00328 BindingDB Entry DOI: 10.7270/Q2Z60R1X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Homo sapiens (Human)) | BDBM50203246 (CHEMBL3953119) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 689 | n/a | n/a | n/a | n/a | n/a | n/a |
Vyera Pharmaceuticals, LLC Curated by ChEMBL | Assay Description Inhibition of human DHFR expressed in Escherichia coli BL21 competent cells using DHF as substrate preincubated for 15 mins followed by substrate and... | J Med Chem 62: 1562-1576 (2019) Article DOI: 10.1021/acs.jmedchem.8b01754 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii) | BDBM50203246 (CHEMBL3953119) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Vyera Pharmaceuticals, LLC Curated by ChEMBL | Assay Description Inhibition of Toxoplasma gondii DHFR-TS expressed in Escherichia coli BL21 competent cells using DHF as substrate preincubated for 15 mins followed b... | J Med Chem 62: 1562-1576 (2019) Article DOI: 10.1021/acs.jmedchem.8b01754 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii) | BDBM50203246 (CHEMBL3953119) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Turing Pharmaceuticals AG Curated by ChEMBL | Assay Description Inhibition of Toxoplasma gondii TS-DHFR expressed in Escherichia coli BL21 preincubated for 15 mins followed by addition of DHF as substrate and NADP... | ACS Med Chem Lett 7: 1124-1129 (2016) Article DOI: 10.1021/acsmedchemlett.6b00328 BindingDB Entry DOI: 10.7270/Q2Z60R1X | |||||||||||
More data for this Ligand-Target Pair |