BDBM50128813 CHEMBL3629195

SMILES: NC(=S)N\N=C(/c1ccc(Br)cc1)c1cccc(c1)C(=O)c1ccc(Br)cc1

InChI Key: InChIKey=KWHZXLMTAWGEOL-NCELDCMTSA-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 = 50128813   

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))	BDBM50128813 (CHEMBL3629195) Show SMILES NC(=S)N\N=C(/c1ccc(Br)cc1)c1cccc(c1)C(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C21H15Br2N3OS/c22-17-8-4-13(5-9-17)19(25-26-21(24)28)15-2-1-3-16(12-15)20(27)14-6-10-18(23)11-7-14/h1-12H,(H3,24,26,28)/b25-19+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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))	BDBM50128813 (CHEMBL3629195) Show SMILES NC(=S)N\N=C(/c1ccc(Br)cc1)c1cccc(c1)C(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C21H15Br2N3OS/c22-17-8-4-13(5-9-17)19(25-26-21(24)28)15-2-1-3-16(12-15)20(27)14-6-10-18(23)11-7-14/h1-12H,(H3,24,26,28)/b25-19+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.52E+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 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