BDBM50232473 CHEMBL4087627

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

InChI Key: InChIKey=RISJFQWXMQSRIY-QGOAFFKASA-N

Data: 1 KI  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 3 hits for monomerid = 50232473   

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
Procathepsin L (Homo sapiens (Human))	BDBM50232473 (CHEMBL4087627) Show SMILES NC(=S)N\N=C(/c1cccc(O)c1)c1cc(Br)cc(Br)c1 Show InChI InChI=1S/C14H11Br2N3OS/c15-10-4-9(5-11(16)7-10)13(18-19-14(17)21)8-2-1-3-12(20)6-8/h1-7,20H,(H3,17,19,21)/b18-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor University Curated by ChEMBL					Assay Description Covalent/reversible inhibition of human liver cathepsin-L using Z-FR-AMC as substrate preincubated for 5 mins followed by substrate addition measured...				Bioorg Med Chem Lett 27: 1304-1310 (2017) BindingDB Entry DOI: 10.7270/Q23B62C1
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50232473 (CHEMBL4087627) Show SMILES NC(=S)N\N=C(/c1cccc(O)c1)c1cc(Br)cc(Br)c1 Show InChI InChI=1S/C14H11Br2N3OS/c15-10-4-9(5-11(16)7-10)13(18-19-14(17)21)8-2-1-3-12(20)6-8/h1-7,20H,(H3,17,19,21)/b18-13+	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 preincubated for 5 mins followed by substrate addition measured for 5 mins by fluor...				Bioorg Med Chem Lett 27: 1304-1310 (2017) BindingDB Entry DOI: 10.7270/Q23B62C1
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50232473 (CHEMBL4087627) Show SMILES NC(=S)N\N=C(/c1cccc(O)c1)c1cc(Br)cc(Br)c1 Show InChI InChI=1S/C14H11Br2N3OS/c15-10-4-9(5-11(16)7-10)13(18-19-14(17)21)8-2-1-3-12(20)6-8/h1-7,20H,(H3,17,19,21)/b18-13+	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	202	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 preincubated for 5 mins followed by substrate addition measured at 15 sec interval ...				Bioorg Med Chem Lett 27: 1304-1310 (2017) BindingDB Entry DOI: 10.7270/Q23B62C1
					More data for this Ligand-Target Pair