BDBM50306646 CHEMBL606452::[(3-Bromophenyl)-(3-chlorophenyl)-ketone]thiosemicarbazone

SMILES: NC(=S)NN=C(c1cccc(Cl)c1)c1cccc(Br)c1

InChI Key: InChIKey=ALSDUNNWDPRNDZ-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 = 50306646   

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))	BDBM50306646 (CHEMBL606452 | [(3-Bromophenyl)-(3-chlorophenyl)-k...) Show SMILES NC(=S)NN=C(c1cccc(Cl)c1)c1cccc(Br)c1 |w:4.3| Show InChI InChI=1S/C14H11BrClN3S/c15-11-5-1-3-9(7-11)13(18-19-14(17)20)10-4-2-6-12(16)8-10/h1-8H,(H3,17,19,20)	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))	BDBM50306646 (CHEMBL606452 | [(3-Bromophenyl)-(3-chlorophenyl)-k...) Show SMILES NC(=S)NN=C(c1cccc(Cl)c1)c1cccc(Br)c1 |w:4.3| Show InChI InChI=1S/C14H11BrClN3S/c15-11-5-1-3-9(7-11)13(18-19-14(17)20)10-4-2-6-12(16)8-10/h1-8H,(H3,17,19,20)	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	131	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