BDBM50406722 CHEMBL353302

SMILES: CN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(s1)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O

InChI Key: InChIKey=VJDHISTXKREGMF-ROUUACIJSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50406722   

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 (Mus musculus)	BDBM50406722 (CHEMBL353302) Show SMILES CN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(s1)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O Show InChI InChI=1S/C26H29N5O9S/c1-13-27-16-4-3-14(11-15(16)23(35)28-13)12-31(2)21-9-7-19(41-21)24(36)30-18(26(39)40)5-8-20(32)29-17(25(37)38)6-10-22(33)34/h3-4,7,9,11,17-18H,5-6,8,10,12H2,1-2H3,(H,29,32)(H,30,36)(H,33,34)(H,37,38)(H,39,40)(H,27,28,35)/t17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of thymidylate synthase, partially purified from L1210 mouse leukemia cells overexpressing TS				J Med Chem 35: 859-66 (1992) BindingDB Entry DOI: 10.7270/Q2G44RG7
					More data for this Ligand-Target Pair