BDBM50386184 CHEMBL2042801

SMILES: COc1ccc2cc(O)c(cc2c1)C(=O)NN=Cc1c(O)ccc2ccccc12

InChI Key: InChIKey=DWEDWTTYILNMGD-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 = 50386184   

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
Cruzipain (Trypanosoma cruzi)	BDBM50386184 (CHEMBL2042801) Show SMILES COc1ccc2cc(O)c(cc2c1)C(=O)NN=Cc1c(O)ccc2ccccc12 |w:17.19| Show InChI InChI=1S/C23H18N2O4/c1-29-17-8-6-15-12-22(27)19(11-16(15)10-17)23(28)25-24-13-20-18-5-3-2-4-14(18)7-9-21(20)26/h2-13,26-27H,1H3,(H,25,28)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos - Farmanguinhos Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				Eur J Med Chem 54: 512-21 (2012) Article DOI: 10.1016/j.ejmech.2012.05.041 BindingDB Entry DOI: 10.7270/Q2HM59HT
					More data for this Ligand-Target Pair