BDBM50182108 1-(1-(3-(3-(4-bromophenyl)-5-(methylsulfonyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)-2-hydroxypropyl)piperidin-4-yl)-6-chloro-3,4-dihydroquinolin-2(1H)-one::CHEMBL408418

SMILES: CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)N1C(=O)CCc2cc(Cl)ccc12)-c1ccc(Br)cc1

InChI Key: InChIKey=QCVFWWFGAKRNHR-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 = 50182108   

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))	BDBM50182108 (1-(1-(3-(3-(4-bromophenyl)-5-(methylsulfonyl)-4,5,...) Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)N1C(=O)CCc2cc(Cl)ccc12)-c1ccc(Br)cc1 Show InChI InChI=1S/C30H35BrClN5O4S/c1-42(40,41)35-15-12-28-26(19-35)30(20-2-5-22(31)6-3-20)33-36(28)18-25(38)17-34-13-10-24(11-14-34)37-27-8-7-23(32)16-21(27)4-9-29(37)39/h2-3,5-8,16,24-25,38H,4,9-15,17-19H2,1H3	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	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))	BDBM50182108 (1-(1-(3-(3-(4-bromophenyl)-5-(methylsulfonyl)-4,5,...) Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)N1C(=O)CCc2cc(Cl)ccc12)-c1ccc(Br)cc1 Show InChI InChI=1S/C30H35BrClN5O4S/c1-42(40,41)35-15-12-28-26(19-35)30(20-2-5-22(31)6-3-20)33-36(28)18-25(38)17-34-13-10-24(11-14-34)37-27-8-7-23(32)16-21(27)4-9-29(37)39/h2-3,5-8,16,24-25,38H,4,9-15,17-19H2,1H3	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	750	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