BDBM50354232 CHEMBL1836470

SMILES: Clc1cccc(CSc2nc(SCc3ccccc3)nc(=O)[nH]2)c1

InChI Key: InChIKey=JKHYSSUZYRXJOO-UHFFFAOYSA-N

Data: 2 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 4 hits for monomerid = 50354232   

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))	BDBM50354232 (CHEMBL1836470) Show SMILES Clc1cccc(CSc2nc(SCc3ccccc3)nc(=O)[nH]2)c1 Show InChI InChI=1S/C17H14ClN3OS2/c18-14-8-4-7-13(9-14)11-24-17-20-15(22)19-16(21-17)23-10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Partial mixed-type inhibition of human recombinant cathepsin B assessed as formation of fluorescent degradation product AMC using Z-Arg-Arg-AMC as su...				Eur J Med Chem 46: 4648-56 (2011) Article DOI: 10.1016/j.ejmech.2011.08.005 BindingDB Entry DOI: 10.7270/Q2M045TJ
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50354232 (CHEMBL1836470) Show SMILES Clc1cccc(CSc2nc(SCc3ccccc3)nc(=O)[nH]2)c1 Show InChI InChI=1S/C17H14ClN3OS2/c18-14-8-4-7-13(9-14)11-24-17-20-15(22)19-16(21-17)23-10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Reversible inhibition of human recombinant cathepsin B assessed as formation of fluorescent degradation product AMC using Z-Arg-Arg-AMC as substrate ...				Eur J Med Chem 46: 4648-56 (2011) Article DOI: 10.1016/j.ejmech.2011.08.005 BindingDB Entry DOI: 10.7270/Q2M045TJ
					More data for this Ligand-Target Pair
Topoisomerase I/II (Homo sapiens (Human))	BDBM50354232 (CHEMBL1836470) Show SMILES Clc1cccc(CSc2nc(SCc3ccccc3)nc(=O)[nH]2)c1 Show InChI InChI=1S/C17H14ClN3OS2/c18-14-8-4-7-13(9-14)11-24-17-20-15(22)19-16(21-17)23-10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,19,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.76E+4	n/a	n/a	n/a	n/a	n/a	n/a
Slovenia; University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha using supercoiled pNO1 plasmid as substrate after 30 mins by HTS assay				Eur J Med Chem 175: 330-348 (2019) Article DOI: 10.1016/j.ejmech.2019.04.055
					More data for this Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα) (Homo sapiens (Human))	BDBM50354232 (CHEMBL1836470) Show SMILES Clc1cccc(CSc2nc(SCc3ccccc3)nc(=O)[nH]2)c1 Show InChI InChI=1S/C17H14ClN3OS2/c18-14-8-4-7-13(9-14)11-24-17-20-15(22)19-16(21-17)23-10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,19,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins				Bioorg Med Chem 23: 4218-29 (2015) BindingDB Entry DOI: 10.7270/Q2RJ4M72
					More data for this Ligand-Target Pair