BDBM50005327 5-[4-(4-Methoxy-benzenesulfonyl)-benzyl]-1-methyl-5,6,7,8-tetrahydro-1H-imidazo[4,5-g]quinolin-2-ylamine::CHEMBL171057
SMILES: COc1ccc(cc1)S(=O)(=O)c1ccc(CN2CCCc3cc4n(C)c(N)nc4cc23)cc1
InChI Key: InChIKey=HDVHULPVSPSYAG-UHFFFAOYSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Thymidylate synthase (Homo sapiens (Human)) | BDBM50005327 (5-[4-(4-Methoxy-benzenesulfonyl)-benzyl]-1-methyl-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibition of human Thymidylate synthase (TS) | J Med Chem 35: 847-58 (1992) BindingDB Entry DOI: 10.7270/Q2X0660R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidylate synthase (Escherichia coli) | BDBM50005327 (5-[4-(4-Methoxy-benzenesulfonyl)-benzyl]-1-methyl-...) | PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibition of Escherichia coli Thymidylate synthase (TS) | J Med Chem 35: 847-58 (1992) BindingDB Entry DOI: 10.7270/Q2X0660R | |||||||||||
More data for this Ligand-Target Pair |