BDBM50182114 4-(1-(3-(3-(4-bromophenyl)-5-(methylsulfonyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)propyl)piperidin-4-yl)-6-chloro-2H-benzo[b][1,4]oxazin-3(4H)-one::CHEMBL380541

SMILES: CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)N1C(=O)COc2ccc(Cl)cc12)-c1ccc(Br)cc1

InChI Key: InChIKey=BNUKWTZNHHNSEF-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 = 50182114   

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))	BDBM50182114 (4-(1-(3-(3-(4-bromophenyl)-5-(methylsulfonyl)-4,5,...) Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)N1C(=O)COc2ccc(Cl)cc12)-c1ccc(Br)cc1 Show InChI InChI=1S/C29H33BrClN5O4S/c1-41(38,39)34-16-11-25-24(18-34)29(20-3-5-21(30)6-4-20)32-35(25)13-2-12-33-14-9-23(10-15-33)36-26-17-22(31)7-8-27(26)40-19-28(36)37/h3-8,17,23H,2,9-16,18-19H2,1H3	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	130	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))	BDBM50182114 (4-(1-(3-(3-(4-bromophenyl)-5-(methylsulfonyl)-4,5,...) Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)N1C(=O)COc2ccc(Cl)cc12)-c1ccc(Br)cc1 Show InChI InChI=1S/C29H33BrClN5O4S/c1-41(38,39)34-16-11-25-24(18-34)29(20-3-5-21(30)6-4-20)32-35(25)13-2-12-33-14-9-23(10-15-33)36-26-17-22(31)7-8-27(26)40-19-28(36)37/h3-8,17,23H,2,9-16,18-19H2,1H3	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	2.60E+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