BDBM50046653 2-Amino-6-chloro-5-(pyridin-4-ylsulfanyl)-3H-quinazolin-4-one::CHEMBL162145
SMILES: Nc1nc2ccc(Cl)c(Sc3ccncc3)c2c(=O)[nH]1
InChI Key: InChIKey=AYMBSJQFXFNWDR-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)) | BDBM50046653 (2-Amino-6-chloro-5-(pyridin-4-ylsulfanyl)-3H-quina...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | 18 | 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 | J Med Chem 36: 733-46 (1993) BindingDB Entry DOI: 10.7270/Q2HM57JF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidylate synthase (Homo sapiens (Human)) | BDBM50046653 (2-Amino-6-chloro-5-(pyridin-4-ylsulfanyl)-3H-quina...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | 20 | 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 | J Med Chem 36: 733-46 (1993) BindingDB Entry DOI: 10.7270/Q2HM57JF | |||||||||||
More data for this Ligand-Target Pair |