BDBM50182089 1-[3-(4-Bromo-phenyl)-5-methanesulfonyl-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-3-[4-(6-chloro-2,2-dioxo-3,4-dihydro-2H-2lambda*6*-benzo[1,2,6]thiadiazin-1-yl)-piperidin-1-yl]-propan-2-ol::CHEMBL379770

SMILES: CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)N1c2ccc(Cl)cc2CNS1(=O)=O)-c1ccc(Br)cc1

InChI Key: InChIKey=CWFWXRMDPPNMFG-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 = 50182089   

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
HLA-DR antigens-associated invariant chain (Homo sapiens (Human))	BDBM50182089 (1-[3-(4-Bromo-phenyl)-5-methanesulfonyl-4,5,6,7-te...) Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)N1c2ccc(Cl)cc2CNS1(=O)=O)-c1ccc(Br)cc1 Show InChI InChI=1S/C28H34BrClN6O5S2/c1-42(38,39)34-13-10-27-25(18-34)28(19-2-4-21(29)5-3-19)32-35(27)17-24(37)16-33-11-8-23(9-12-33)36-26-7-6-22(30)14-20(26)15-31-43(36,40)41/h2-7,14,23-24,31,37H,8-13,15-18H2,1H3	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	2.70E+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
Cathepsin S (Homo sapiens (Human))	BDBM50182089 (1-[3-(4-Bromo-phenyl)-5-methanesulfonyl-4,5,6,7-te...) Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)N1c2ccc(Cl)cc2CNS1(=O)=O)-c1ccc(Br)cc1 Show InChI InChI=1S/C28H34BrClN6O5S2/c1-42(38,39)34-13-10-27-25(18-34)28(19-2-4-21(29)5-3-19)32-35(27)17-24(37)16-33-11-8-23(9-12-33)36-26-7-6-22(30)14-20(26)15-31-43(36,40)41/h2-7,14,23-24,31,37H,8-13,15-18H2,1H3	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	75	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