BDBM50249977 CHEMBL1234304

SMILES: Nc1nc2n(c[n+](Cc3ccccc3)c2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O

InChI Key: InChIKey=WMKJRKYLDWLLPS-XNIJJKJLSA-O

Data: 1 Kd

PDB links: 1 PDB ID matches this monomer.

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 = 50249977   

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
Eukaryotic translation initiation factor 4E (eIF4E) (Homo sapiens (Human))	BDBM50249977 (CHEMBL1234304) Show SMILES Nc1nc2n(c[n+](Cc3ccccc3)c2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H20N5O8P/c18-17-19-14-11(15(25)20-17)21(6-9-4-2-1-3-5-9)8-22(14)16-13(24)12(23)10(30-16)7-29-31(26,27)28/h1-5,8,10,12-13,16,23-24H,6-7H2,(H4-,18,19,20,25,26,27,28)/p+1/t10-,12-,13-,16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a
Department of Internal Medicine, Division of Hematology, Mayo Clinic , Rochester, Minnesota 55905, United States. Curated by ChEMBL					Assay Description Binding affinity to eIF4E (unknown origin) by fluorescence titration assay				J Med Chem 60: 8131-8144 (2017) Article DOI: 10.1021/acs.jmedchem.7b00916 BindingDB Entry DOI: 10.7270/Q28W3GRV
					More data for this Ligand-Target Pair				3D Structure (crystal)