BDBM50306662 CHEMBL602934::[(3-Bromophenyl)-(2,3,4,5-tetrafluorophenyl)-ketone]thiosemicarbazone

SMILES: NC(=S)NN=C(c1cccc(Br)c1)c1cc(F)c(F)c(F)c1F

InChI Key: InChIKey=YXSWYTGNXLEEBE-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 = 50306662   

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))	BDBM50306662 (CHEMBL602934 | [(3-Bromophenyl)-(2,3,4,5-tetrafluo...) Show SMILES NC(=S)NN=C(c1cccc(Br)c1)c1cc(F)c(F)c(F)c1F |w:4.3| Show InChI InChI=1S/C14H8BrF4N3S/c15-7-3-1-2-6(4-7)13(21-22-14(20)23)8-5-9(16)11(18)12(19)10(8)17/h1-5H,(H3,20,22,23)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				Bioorg Med Chem Lett 20: 1415-9 (2010) Article DOI: 10.1016/j.bmcl.2009.12.090 BindingDB Entry DOI: 10.7270/Q2NG4QQZ
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50306662 (CHEMBL602934 | [(3-Bromophenyl)-(2,3,4,5-tetrafluo...) Show SMILES NC(=S)NN=C(c1cccc(Br)c1)c1cc(F)c(F)c(F)c1F |w:4.3| Show InChI InChI=1S/C14H8BrF4N3S/c15-7-3-1-2-6(4-7)13(21-22-14(20)23)8-5-9(16)11(18)12(19)10(8)17/h1-5H,(H3,20,22,23)	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	63.2	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin L				Bioorg Med Chem Lett 20: 1415-9 (2010) Article DOI: 10.1016/j.bmcl.2009.12.090 BindingDB Entry DOI: 10.7270/Q2NG4QQZ
					More data for this Ligand-Target Pair