BDBM50445064 CHEMBL3098906

SMILES: Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCC(=O)NCCc1ccccn1

InChI Key: InChIKey=BXOALHYWLFTMGN-UHFFFAOYSA-N

Data: 1 IC50

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 = 50445064   

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
Ricin (Ricinus communis)	BDBM50445064 (CHEMBL3098906) Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCC(=O)NCCc1ccccn1 Show InChI InChI=1S/C16H16N8O3/c17-16-23-13-12(15(27)24-16)20-7-10(22-13)14(26)21-8-11(25)19-6-4-9-3-1-2-5-18-9/h1-3,5,7H,4,6,8H2,(H,19,25)(H,21,26)(H3,17,22,23,24,27)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of castor bean ricin toxin A after 90 mins by luciferase reporter gene assay				Bioorg Med Chem Lett 23: 6799-804 (2014) BindingDB Entry DOI: 10.7270/Q2H41SW6
					More data for this Ligand-Target Pair