BDBM50005203 (4-Benzenesulfonyl-benzyl)-(2-imino-1-methyl-1,2-dihydro-benzo[cd]indol-6-yl)-methyl-amine::CHEMBL275685::N*6*-(4-Benzenesulfonyl-benzyl)-N*6*-methyl-benzo[cd]indole-2,6-diamine
SMILES: CN(Cc1ccc(cc1)S(=O)(=O)c1ccccc1)c1ccc2N=C(N)c3cccc1c23
InChI Key: InChIKey=WZXJTHFFHJIZNA-UHFFFAOYSA-N
Data: 3 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)) | BDBM50005203 ((4-Benzenesulfonyl-benzyl)-(2-imino-1-methyl-1,2-d...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | 31 | 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 (Homo sapiens (Human)) | BDBM50005203 ((4-Benzenesulfonyl-benzyl)-(2-imino-1-methyl-1,2-d...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Compound was evaluated for the inhibitory constant of human thymidylate synthase | J Med Chem 37: 1035-54 (1994) BindingDB Entry DOI: 10.7270/Q26Q1XWX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidylate synthase (Escherichia coli) | BDBM50005203 ((4-Benzenesulfonyl-benzyl)-(2-imino-1-methyl-1,2-d...) | PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | 1.50E+3 | 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 |