BDBM50421530 CHEMBL39253

SMILES: COc1ccc2cc(O)c(cc2c1)C(=O)N\N=C\c1ccc(s1)-c1cc(nn1C)C(F)(F)F

InChI Key: InChIKey=ZEAMHWQBWWEWSJ-KBKYJPHKSA-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 = 50421530   

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)	BDBM50421530 (CHEMBL39253) Show SMILES COc1ccc2cc(O)c(cc2c1)C(=O)N\N=C\c1ccc(s1)-c1cc(nn1C)C(F)(F)F Show InChI InChI=1S/C22H17F3N4O3S/c1-29-17(10-20(28-29)22(23,24)25)19-6-5-15(33-19)11-26-27-21(31)16-8-13-7-14(32-2)4-3-12(13)9-18(16)30/h3-11,30H,1-2H3,(H,27,31)/b26-11+	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro Curated by ChEMBL					Assay Description Inhibition of cruzain, the major cysteine protease from Trypanosoma cruzi				Bioorg Med Chem Lett 12: 1537-41 (2002) Checked by Author BindingDB Entry DOI: 10.7270/Q2W37XGT
					More data for this Ligand-Target Pair