BDBM50445076 CHEMBL3098908

SMILES: Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCC(=O)NCCc1ccccc1

InChI Key: InChIKey=SLYXAUIJAYQNCA-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 = 50445076   

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)	BDBM50445076 (CHEMBL3098908) Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCC(=O)NCCc1ccccc1 Show InChI InChI=1S/C17H17N7O3/c18-17-23-14-13(16(27)24-17)20-8-11(22-14)15(26)21-9-12(25)19-7-6-10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H,19,25)(H,21,26)(H3,18,22,23,24,27)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.28E+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