BDBM50445069 CHEMBL3098915

SMILES: Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCCNC(=S)Cc1ccccc1

InChI Key: InChIKey=CXODYKJHHLOOEH-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 = 50445069   

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)	BDBM50445069 (CHEMBL3098915) Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCCNC(=S)Cc1ccccc1 Show InChI InChI=1S/C17H17N7O2S/c18-17-23-14-13(16(26)24-17)21-9-11(22-14)15(25)20-7-6-19-12(27)8-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,19,27)(H,20,25)(H3,18,22,23,24,26)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.80E+4	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