BDBM50271689 CHEMBL4130028

SMILES: Cc1cccc(C[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C(=O)NCC#N)c1

InChI Key: InChIKey=WXIQGHCEJQTZKF-KRWDZBQOSA-N

Data: 2 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 2 hits for monomerid = 50271689   

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
Cathepsin L (Toxoplasma gondii)	BDBM50271689 (CHEMBL4130028) Show SMILES Cc1cccc(C[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C(=O)NCC#N)c1 |r| Show InChI InChI=1S/C20H18F3N3O2/c1-13-4-2-5-14(10-13)11-17(19(28)25-9-8-24)26-18(27)15-6-3-7-16(12-15)20(21,22)23/h2-7,10,12,17H,9,11H2,1H3,(H,25,28)(H,26,27)/t17-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii cathepsin L using Z-L-R-AMC as substrate preincubated for 5 mins followed by substrate addition measured over 5 mins ...				Bioorg Med Chem Lett 28: 1972-1980 (2018) Article DOI: 10.1016/j.bmcl.2018.03.020 BindingDB Entry DOI: 10.7270/Q2445PZZ
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50271689 (CHEMBL4130028) Show SMILES Cc1cccc(C[C@H](NC(=O)c2cccc(c2)C(F)(F)F)C(=O)NCC#N)c1 |r| Show InChI InChI=1S/C20H18F3N3O2/c1-13-4-2-5-14(10-13)11-17(19(28)25-9-8-24)26-18(27)15-6-3-7-16(12-15)20(21,22)23/h2-7,10,12,17H,9,11H2,1H3,(H,25,28)(H,26,27)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using Z-L-R-AMC as substrate preincubated for 5 mins followed by substrate addition measured over 5 mins by spectroph...				Bioorg Med Chem Lett 28: 1972-1980 (2018) Article DOI: 10.1016/j.bmcl.2018.03.020 BindingDB Entry DOI: 10.7270/Q2445PZZ
					More data for this Ligand-Target Pair