BDBM50005322 CHEMBL353813::[6-(2-Amino-1,6,7,8-tetrahydro-imidazo[4,5-g]quinolin-5-ylmethyl)-naphthalen-2-yl]-methanol
SMILES: Nc1nc2cc3CCCN(Cc4ccc5cc(CO)ccc5c4)c3cc2[nH]1
InChI Key: InChIKey=SLCHNYIKJBZPFO-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)) | BDBM50005322 (CHEMBL353813 | [6-(2-Amino-1,6,7,8-tetrahydro-imid...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | 38 | 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) | BDBM50005322 (CHEMBL353813 | [6-(2-Amino-1,6,7,8-tetrahydro-imid...) | PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | 39 | 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 |