BDBM50182111 1-(3-(4-bromophenyl)-5-(methylsulfonyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)-3-(4-(3,4-dihydroisoquinolin-2(1H)-yl)piperidin-1-yl)propan-2-ol::CHEMBL446116

SMILES: CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)N1CCc2ccccc2C1)-c1ccc(Br)cc1

InChI Key: InChIKey=MUMVAWLSJMWHJO-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50182111   

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 S (Homo sapiens (Human))	BDBM50182111 (1-(3-(4-bromophenyl)-5-(methylsulfonyl)-4,5,6,7-te...) Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)N1CCc2ccccc2C1)-c1ccc(Br)cc1 Show InChI InChI=1S/C30H38BrN5O3S/c1-40(38,39)35-17-13-29-28(21-35)30(23-6-8-25(31)9-7-23)32-36(29)20-27(37)19-33-14-11-26(12-15-33)34-16-10-22-4-2-3-5-24(22)18-34/h2-9,26-27,37H,10-21H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of cathepsin S				Bioorg Med Chem Lett 16: 2209-12 (2006) Article DOI: 10.1016/j.bmcl.2006.01.038 BindingDB Entry DOI: 10.7270/Q2K35T7W
					More data for this Ligand-Target Pair