BDBM50005183 1-Methyl-6-{methyl-[4-(piperazine-1-sulfonyl)-benzyl]-amino}-1H-benzo[cd]indol-2-one; maleate::6-{Methyl-[4-(piperazine-1-sulfonyl)-benzyl]-amino}-1H-benzo[cd]indol-2-one::CHEMBL57002
SMILES: CN(Cc1ccc(cc1)S(=O)(=O)N1CCNCC1)c1ccc2NC(=O)c3cccc1c23
InChI Key: InChIKey=VXSXCFLRCYZJCZ-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)) | BDBM50005183 (1-Methyl-6-{methyl-[4-(piperazine-1-sulfonyl)-benz...) | 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 | 840 | 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 (Ki) | J Med Chem 34: 1925-34 (1991) BindingDB Entry DOI: 10.7270/Q25Q4V1Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidylate synthase (Escherichia coli) | BDBM50005183 (1-Methyl-6-{methyl-[4-(piperazine-1-sulfonyl)-benz...) | PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.10E+4 | 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 Thymidylate synthase of E. coli (Ki) | J Med Chem 34: 1925-34 (1991) BindingDB Entry DOI: 10.7270/Q25Q4V1Q | |||||||||||
More data for this Ligand-Target Pair |