BDBM50306597 3-(4-((S)-4-methyl-2-(quinolin-6-ylmethylamino)pentan-2-yl)-1H-1,2,3-triazol-1-yl)-1-(2,3,5,6-tetrafluorophenoxy)pentan-2-one::CHEMBL603089

SMILES: CCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@](C)(CC(C)C)NCc1ccc2ncccc2c1

InChI Key: InChIKey=BJXIWHVMUJFWQV-IZCXSWDTSA-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 = 50306597   

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)	BDBM50306597 (3-(4-((S)-4-methyl-2-(quinolin-6-ylmethylamino)pen...) Show SMILES CCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@](C)(CC(C)C)NCc1ccc2ncccc2c1 |r| Show InChI InChI=1S/C29H31F4N5O2/c1-5-23(24(39)16-40-28-26(32)20(30)12-21(31)27(28)33)38-15-25(36-37-38)29(4,13-17(2)3)35-14-18-8-9-22-19(11-18)7-6-10-34-22/h6-12,15,17,23,35H,5,13-14,16H2,1-4H3/t23?,29-/m0/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain				J Med Chem 53: 1763-73 (2010) Article DOI: 10.1021/jm901633v BindingDB Entry DOI: 10.7270/Q21N8172
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