BDBM50377594 CHEMBL410086

SMILES: NC(=S)NN=C(CCc1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=JFGRHCAKWZRTBW-UHFFFAOYSA-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 = 50377594   

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 B (Homo sapiens (Human))	BDBM50377594 (CHEMBL410086) Show SMILES NC(=S)NN=C(CCc1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:4.3| Show InChI InChI=1S/C18H15F6N3S/c19-17(20,21)13-8-12(9-14(10-13)18(22,23)24)15(26-27-16(25)28)7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H3,25,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human cathepsin B				Bioorg Med Chem Lett 18: 2883-5 (2008) Article DOI: 10.1016/j.bmcl.2008.03.083 BindingDB Entry DOI: 10.7270/Q2Q24150
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50377594 (CHEMBL410086) Show SMILES NC(=S)NN=C(CCc1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |w:4.3| Show InChI InChI=1S/C18H15F6N3S/c19-17(20,21)13-8-12(9-14(10-13)18(22,23)24)15(26-27-16(25)28)7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H3,25,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human cathepsin L				Bioorg Med Chem Lett 18: 2883-5 (2008) Article DOI: 10.1016/j.bmcl.2008.03.083 BindingDB Entry DOI: 10.7270/Q2Q24150
					More data for this Ligand-Target Pair