BDBM50182115 1-(1-(2-hydroxy-3-(5-(methylsulfonyl)-3-(4-(trifluoromethyl)phenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)propyl)piperidin-4-yl)benzo[e][1,4]oxazepin-2(1H,3H,5H)-one::CHEMBL207003

SMILES: CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)N1c2ccccc2COCC1=O)-c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=LYFKQHVCRNURSR-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 = 50182115   

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))	BDBM50182115 (1-(1-(2-hydroxy-3-(5-(methylsulfonyl)-3-(4-(triflu...) Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)N1c2ccccc2COCC1=O)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C31H36F3N5O5S/c1-45(42,43)37-15-12-28-26(18-37)30(21-6-8-23(9-7-21)31(32,33)34)35-38(28)17-25(40)16-36-13-10-24(11-14-36)39-27-5-3-2-4-22(27)19-44-20-29(39)41/h2-9,24-25,40H,10-20H2,1H3	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	930	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))	BDBM50182115 (1-(1-(2-hydroxy-3-(5-(methylsulfonyl)-3-(4-(triflu...) Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)N1c2ccccc2COCC1=O)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C31H36F3N5O5S/c1-45(42,43)37-15-12-28-26(18-37)30(21-6-8-23(9-7-21)31(32,33)34)35-38(28)17-25(40)16-36-13-10-24(11-14-36)39-27-5-3-2-4-22(27)19-44-20-29(39)41/h2-9,24-25,40H,10-20H2,1H3	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	163	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