BDBM50420415 CHEMBL2086423

SMILES: Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCc1cn(CCc2ccccc2)nn1

InChI Key: InChIKey=HHQKPUNDXWJFRF-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 = 50420415   

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)	BDBM50420415 (CHEMBL2086423) Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCc1cn(CCc2ccccc2)nn1 Show InChI InChI=1S/C18H17N9O2/c19-18-23-15-14(17(29)24-18)20-9-13(22-15)16(28)21-8-12-10-27(26-25-12)7-6-11-4-2-1-3-5-11/h1-5,9-10H,6-8H2,(H,21,28)(H3,19,22,23,24,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Ricinus communis ricin toxin A after 90 mins by luciferase reporter gene assay				ACS Med Chem Lett 3: 588-591 (2012) Article DOI: 10.1021/ml300099t BindingDB Entry DOI: 10.7270/Q2N29Z7B
					More data for this Ligand-Target Pair