BDBM50128822 CHEMBL3629204

SMILES: NC(=S)N\N=C(/c1cccc(Br)c1)c1cc(Br)cc(c1)C(=O)c1cccc(Br)c1

InChI Key: InChIKey=GKEWVDQMKCKSBW-LGUFXXKBSA-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 = 50128822   

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))	BDBM50128822 (CHEMBL3629204) Show SMILES NC(=S)N\N=C(/c1cccc(Br)c1)c1cc(Br)cc(c1)C(=O)c1cccc(Br)c1 Show InChI InChI=1S/C21H14Br3N3OS/c22-16-5-1-3-12(8-16)19(26-27-21(25)29)14-7-15(11-18(24)10-14)20(28)13-4-2-6-17(23)9-13/h1-11H,(H3,25,27,29)/b26-19+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 using Z-RR-AMC as substrate after 5 mins by fluorescence assay				Bioorg Med Chem 23: 6974-92 (2015) BindingDB Entry DOI: 10.7270/Q2T43VX1
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50128822 (CHEMBL3629204) Show SMILES NC(=S)N\N=C(/c1cccc(Br)c1)c1cc(Br)cc(c1)C(=O)c1cccc(Br)c1 Show InChI InChI=1S/C21H14Br3N3OS/c22-16-5-1-3-12(8-16)19(26-27-21(25)29)14-7-15(11-18(24)10-14)20(28)13-4-2-6-17(23)9-13/h1-11H,(H3,25,27,29)/b26-19+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.03E+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 L using Z-FR-AMC as substrate measured every 15 sec for 5 mins by fluorescence assay				Bioorg Med Chem 23: 6974-92 (2015) BindingDB Entry DOI: 10.7270/Q2T43VX1
					More data for this Ligand-Target Pair