BDBM93198 Mercaptomethyl ketone Inhibitor, 47

SMILES: [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#6]-[#16]-c1cc(Cl)c(Cl)cc1Cl

InChI Key: InChIKey=LEZZHTOUVRLYOL-DQEYMECFSA-N

Data: 1 KI

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 1 hit for monomerid = 93198   

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))	BDBM93198 (Mercaptomethyl ketone Inhibitor, 47) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#6]-[#16]-c1cc(Cl)c(Cl)cc1Cl |r| Show InChI InChI=1S/C30H32Cl3N5O5S/c31-21-14-23(33)27(15-22(21)32)44-17-26(40)24(7-4-12-36-29(34)35)37-28(41)25(13-18-8-10-20(39)11-9-18)38-30(42)43-16-19-5-2-1-3-6-19/h1-3,5-6,8-11,14-15,24-25,39H,4,7,12-13,16-17H2,(H,37,41)(H,38,42)(H4,34,35,36)/t24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	5.5	n/a
University of California-Berkeley					Assay Description A fluorometric high-throughput assay for activity against cathepsin B was performed in 96-well microtiter plates. The assay were performed in Dynate...				J Comb Chem 5: 869-80 (2003) Article DOI: 10.1021/cc034008r BindingDB Entry DOI: 10.7270/Q28914GH
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