BDBM50182106 4-(1-(3-(3-(4-bromophenyl)-5-(methylsulfonyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)propyl)piperidin-4-yl)-5-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one::CHEMBL380361

SMILES: Cc1cccc2OCC(=O)N(C3CCN(CCCn4nc(c5CN(CCc45)S(C)(=O)=O)-c4ccc(Br)cc4)CC3)c12

InChI Key: InChIKey=QQNJSLZFYGMUKV-UHFFFAOYSA-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 = 50182106   

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))	BDBM50182106 (4-(1-(3-(3-(4-bromophenyl)-5-(methylsulfonyl)-4,5,...) Show SMILES Cc1cccc2OCC(=O)N(C3CCN(CCCn4nc(c5CN(CCc45)S(C)(=O)=O)-c4ccc(Br)cc4)CC3)c12 Show InChI InChI=1S/C30H36BrN5O4S/c1-21-5-3-6-27-30(21)36(28(37)20-40-27)24-11-16-33(17-12-24)14-4-15-35-26-13-18-34(41(2,38)39)19-25(26)29(32-35)22-7-9-23(31)10-8-22/h3,5-10,24H,4,11-20H2,1-2H3	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	170	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
HLA-DR antigens-associated invariant chain (Homo sapiens (Human))	BDBM50182106 (4-(1-(3-(3-(4-bromophenyl)-5-(methylsulfonyl)-4,5,...) Show SMILES Cc1cccc2OCC(=O)N(C3CCN(CCCn4nc(c5CN(CCc45)S(C)(=O)=O)-c4ccc(Br)cc4)CC3)c12 Show InChI InChI=1S/C30H36BrN5O4S/c1-21-5-3-6-27-30(21)36(28(37)20-40-27)24-11-16-33(17-12-24)14-4-15-35-26-13-18-34(41(2,38)39)19-25(26)29(32-35)22-7-9-23(31)10-8-22/h3,5-10,24H,4,11-20H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+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 MHC2 invariant chain				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