BDBM50035018 5,N*6*-Dimethyl-N*6*-(2-methyl-pyridin-4-ylmethyl)-benzo[cd]indole-2,6-diamine::CHEMBL55263
SMILES: CN(Cc1ccnc(C)c1)c1ccc2N=C(N)c3ccc(C)c1c23
InChI Key: InChIKey=CQYKHBZGISRXRV-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Thymidylate synthase (Homo sapiens (Human)) | BDBM50035018 (5,N*6*-Dimethyl-N*6*-(2-methyl-pyridin-4-ylmethyl)...) | 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 | 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 Inhibitory effect against recombinant human thymidylate synthase | J Med Chem 38: 1892-903 (1995) BindingDB Entry DOI: 10.7270/Q2X929B2 | |||||||||||
More data for this Ligand-Target Pair |