BDBM50330031 CHEMBL1272261::[(3-Bromophenyl)-(3-acetoxyphenyl)-ketone]thiosemicarbazone

SMILES: CC(=O)Oc1cccc(c1)C(=NNC(N)=S)c1cccc(Br)c1

InChI Key: InChIKey=AVVBLEPNUHTRSC-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 = 50330031   

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))	BDBM50330031 (CHEMBL1272261 | [(3-Bromophenyl)-(3-acetoxyphenyl)...) Show SMILES CC(=O)Oc1cccc(c1)C(=NNC(N)=S)c1cccc(Br)c1 |w:11.12| Show InChI InChI=1S/C16H14BrN3O2S/c1-10(21)22-14-7-3-5-12(9-14)15(19-20-16(18)23)11-4-2-6-13(17)8-11/h2-9H,1H3,(H3,18,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	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 after 5 mins by microplate reader analysis				Bioorg Med Chem Lett 20: 6610-5 (2010) Article DOI: 10.1016/j.bmcl.2010.09.026 BindingDB Entry DOI: 10.7270/Q2MP53HZ
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50330031 (CHEMBL1272261 | [(3-Bromophenyl)-(3-acetoxyphenyl)...) Show SMILES CC(=O)Oc1cccc(c1)C(=NNC(N)=S)c1cccc(Br)c1 |w:11.12| Show InChI InChI=1S/C16H14BrN3O2S/c1-10(21)22-14-7-3-5-12(9-14)15(19-20-16(18)23)11-4-2-6-13(17)8-11/h2-9H,1H3,(H3,18,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	151	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 after 5 mins by microplate reader analysis				Bioorg Med Chem Lett 20: 6610-5 (2010) Article DOI: 10.1016/j.bmcl.2010.09.026 BindingDB Entry DOI: 10.7270/Q2MP53HZ
					More data for this Ligand-Target Pair