BDBM50182101 1-[4-(6-Chloro-2,2-dioxo-3,4-dihydro-2H-2lambda*6*-benzo[1,2,6]thiadiazin-1-yl)-piperidin-1-yl]-3-[5-methanesulfonyl-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-propan-2-ol::CHEMBL203102
SMILES: CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)N1c2ccc(Cl)cc2CNS1(=O)=O)-c1ccc(cc1)C(F)(F)F
InChI Key: InChIKey=XLBFTGSAZVJCHG-UHFFFAOYSA-N
Data: 2 IC50
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)) | BDBM50182101 (1-[4-(6-Chloro-2,2-dioxo-3,4-dihydro-2H-2lambda*6*...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 30 | 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)) | BDBM50182101 (1-[4-(6-Chloro-2,2-dioxo-3,4-dihydro-2H-2lambda*6*...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.30E+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 |