BDBM50182117 6-chloro-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)-3,4-dihydroquinazolin-2(1H)-one::CHEMBL377683

SMILES: CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)N1C(=O)NCc2cc(Cl)ccc12)-c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=PPNRZJCYXTWNEF-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 = 50182117   

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))	BDBM50182117 (6-chloro-1-(1-(2-hydroxy-3-(5-(methylsulfonyl)-3-(...) Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)N1C(=O)NCc2cc(Cl)ccc12)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C30H34ClF3N6O4S/c1-45(43,44)38-13-10-27-25(18-38)28(19-2-4-21(5-3-19)30(32,33)34)36-39(27)17-24(41)16-37-11-8-23(9-12-37)40-26-7-6-22(31)14-20(26)15-35-29(40)42/h2-7,14,23-24,41H,8-13,15-18H2,1H3,(H,35,42)	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	18	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))	BDBM50182117 (6-chloro-1-(1-(2-hydroxy-3-(5-(methylsulfonyl)-3-(...) Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)N1C(=O)NCc2cc(Cl)ccc12)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C30H34ClF3N6O4S/c1-45(43,44)38-13-10-27-25(18-38)28(19-2-4-21(5-3-19)30(32,33)34)36-39(27)17-24(41)16-37-11-8-23(9-12-37)40-26-7-6-22(31)14-20(26)15-35-29(40)42/h2-7,14,23-24,41H,8-13,15-18H2,1H3,(H,35,42)	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	1.90E+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