BDBM50182104 4-(1-(3-(3-(4-bromophenyl)-5-(methylsulfonyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)-2-hydroxypropyl)piperidin-4-yl)-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one::CHEMBL377511

SMILES: CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)N1C(=O)COc2cccnc12)-c1ccc(Br)cc1

InChI Key: InChIKey=JBLOHPBDSXSVNC-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 = 50182104   

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))	BDBM50182104 (4-(1-(3-(3-(4-bromophenyl)-5-(methylsulfonyl)-4,5,...) Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)N1C(=O)COc2cccnc12)-c1ccc(Br)cc1 Show InChI InChI=1S/C28H33BrN6O5S/c1-41(38,39)33-14-10-24-23(17-33)27(19-4-6-20(29)7-5-19)31-34(24)16-22(36)15-32-12-8-21(9-13-32)35-26(37)18-40-25-3-2-11-30-28(25)35/h2-7,11,21-22,36H,8-10,12-18H2,1H3	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	68	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))	BDBM50182104 (4-(1-(3-(3-(4-bromophenyl)-5-(methylsulfonyl)-4,5,...) Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)N1C(=O)COc2cccnc12)-c1ccc(Br)cc1 Show InChI InChI=1S/C28H33BrN6O5S/c1-41(38,39)33-14-10-24-23(17-33)27(19-4-6-20(29)7-5-19)31-34(24)16-22(36)15-32-12-8-21(9-13-32)35-26(37)18-40-25-3-2-11-30-28(25)35/h2-7,11,21-22,36H,8-10,12-18H2,1H3	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	900	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