BDBM50227823 CHEMBL3392214

SMILES: Nc1nc(O)c2cc(CSC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)[nH]c2n1

InChI Key: InChIKey=SQLQZCWJQHPUAV-YZVYYRORSA-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 = 50227823   

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/GAR transformylase/AICAR transformylase (Homo sapiens (Human))	BDBM50227823 (CHEMBL3392214) Show SMILES Nc1nc(O)c2cc(CSC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)[nH]c2n1 |r| Show InChI InChI=1S/C17H19N9O4S/c18-12-9-14(21-4-20-12)26(5-22-9)16-11(28)10(27)8(30-16)3-31-2-6-1-7-13(23-6)24-17(19)25-15(7)29/h1,4-5,8,10-11,16,27-28H,2-3H2,(H2,18,20,21)(H4,19,23,24,25,29)/t8-,10-,11-,16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of compound against Guanine-7-methyl transferase				J Med Chem 32: 2-7 (1989) BindingDB Entry DOI: 10.7270/Q2BV7H6W
					More data for this Ligand-Target Pair