BDBM50401808 CHEMBL2207153

SMILES: C[C@](NCc1ccccc1)(C1CCCCC1)c1cn(nn1)C1(CC1)C#N

InChI Key: InChIKey=VBGGAYGMIXGXEI-FQEVSTJZSA-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 = 50401808   

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))	BDBM50401808 (CHEMBL2207153) Show SMILES C[C@](NCc1ccccc1)(C1CCCCC1)c1cn(nn1)C1(CC1)C#N |r| Show InChI InChI=1S/C21H27N5/c1-20(18-10-6-3-7-11-18,23-14-17-8-4-2-5-9-17)19-15-26(25-24-19)21(16-22)12-13-21/h2,4-5,8-9,15,18,23H,3,6-7,10-14H2,1H3/t20-/m0/s1	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	4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceutical Curated by ChEMBL					Assay Description Inhibition of cathepsin S-mediated antigen presentation in B/T hybridoma cells assessed as IL-2 level				Bioorg Med Chem Lett 22: 7189-93 (2012) Article DOI: 10.1016/j.bmcl.2012.09.054 BindingDB Entry DOI: 10.7270/Q2R212JH
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50401808 (CHEMBL2207153) Show SMILES C[C@](NCc1ccccc1)(C1CCCCC1)c1cn(nn1)C1(CC1)C#N |r| Show InChI InChI=1S/C21H27N5/c1-20(18-10-6-3-7-11-18,23-14-17-8-4-2-5-9-17)19-15-26(25-24-19)21(16-22)12-13-21/h2,4-5,8-9,15,18,23H,3,6-7,10-14H2,1H3/t20-/m0/s1	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	34	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceutical Curated by ChEMBL					Assay Description Inhibition of cathepsin S using FR-aminoluciferin as substrate preincubated for 15 mins before substrate addition measured after 1 hr by luminescence...				Bioorg Med Chem Lett 22: 7189-93 (2012) Article DOI: 10.1016/j.bmcl.2012.09.054 BindingDB Entry DOI: 10.7270/Q2R212JH
					More data for this Ligand-Target Pair