BDBM50243034 CHEMBL511447::lunarine

SMILES: O=C1CCC23\C=C\C(=O)NCCCCNCCCNC(=O)\C=C\c4ccc(OC2C1)c3c4

InChI Key: InChIKey=YIWJEBPTHXRHQF-JEGFTUTRSA-N

Data: 1 KI

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 = 50243034   

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
Trypanothione reductase (Trypanosoma cruzi)	BDBM50243034 (CHEMBL511447 | lunarine) Show SMILES O=C1CCC23\C=C\C(=O)NCCCCNCCCNC(=O)\C=C\c4ccc(OC2C1)c3c4 |t:5,21| Show InChI InChI=1S/C25H31N3O4/c29-19-8-10-25-11-9-24(31)27-14-2-1-12-26-13-3-15-28-23(30)7-5-18-4-6-21(20(25)16-18)32-22(25)17-19/h4-7,9,11,16,22,26H,1-3,8,10,12-15,17H2,(H,27,31)(H,28,30)/b7-5+,11-9+	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.44E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pontificia Universidad Catolica del Peru Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi recombinant trypanothione reductase				Bioorg Med Chem 16: 6689-95 (2008) Article DOI: 10.1016/j.bmc.2008.05.074 BindingDB Entry DOI: 10.7270/Q2F18ZHB
					More data for this Ligand-Target Pair