BDBM50111550 CHEMBL296545::N-(4-Carboxy-4-{4-[(6,8-diamino-quinoxalin-2-ylmethyl)-amino]-benzoylamino}-butyl)-phthalamic acid
SMILES: Nc1cc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCCNC(=O)c3ccccc3C(O)=O)C(O)=O)cnc2c1
InChI Key: InChIKey=LRJWOZVZCGDSDI-UHFFFAOYSA-N
Data: 1 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 (Homo sapiens (Human)) | BDBM50111550 (CHEMBL296545 | N-(4-Carboxy-4-{4-[(6,8-diamino-qui...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem | PubMed | 0.000330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Inhibitory activity against human recombinant Dihydrofolate reductase | J Med Chem 45: 1690-6 (2002) BindingDB Entry DOI: 10.7270/Q2V987CB | |||||||||||
More data for this Ligand-Target Pair |