BDBM50424240 CHEMBL2314139

SMILES: Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O

InChI Key: InChIKey=PMTGRJWJJXCKQL-LBPRGKRZSA-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 = 50424240   

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)	BDBM50424240 (CHEMBL2314139) Show SMILES Nc1nc2nc(cnc2c(=O)[nH]1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C20H18N8O5/c21-20-27-16-15(18(31)28-20)23-7-13(26-16)17(30)24-8-14(29)25-12(19(32)33)5-9-6-22-11-4-2-1-3-10(9)11/h1-4,6-7,12,22H,5,8H2,(H,24,30)(H,25,29)(H,32,33)(H3,21,26,27,28,31)/t12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Toho University Curated by ChEMBL					Assay Description Inhibition of Ricin toxin A after 90 mins by luciferase-translational assay				J Med Chem 56: 320-9 (2013) Article DOI: 10.1021/jm3016393 BindingDB Entry DOI: 10.7270/Q2SN0B81
					More data for this Ligand-Target Pair