BindingDB PrimarySearch

BDBM50318879 CHEMBL607169::N-((S)-1-((3aR,6aS)-4-benzoyl-6-oxohexahydropyrrolo[3,2-b]pyrrol-1(2H)-yl)-4-methyl-1-oxopentan-2-yl)-4-tert-butylbenzamide::N-[1-((S)-(S)-4-Benzoyl-6-(S)-oxo-hexahydro-pyrrolo[3,2-b]pyrrole-1-carbonyl)-3-methyl-butyl]-4-tert-butyl-benzamide

SMILES: CC(C)C[C@H](NC(=O)c1ccc(cc1)C(C)(C)C)C(=O)N1CC[C@@H]2[C@H]1C(=O)CN2C(=O)c1ccccc1

InChI Key: InChIKey=UDPRWQLZVHVIPZ-GSLIJJQTSA-N

Data: 5 KI

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50318879
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Cathepsin K (Homo sapiens (Human))	BDBM50318879 (CHEMBL607169 \| N-((S)-1-((3aR,6aS)-4-benzoyl-6-oxo...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amura Therapeutics Limited, Inc Curated by ChEMBL					Assay Description Binding affinity against human cathepsin K				Bioorg Med Chem Lett 15: 1327-31 (2005) Article DOI: 10.1016/j.bmcl.2005.01.022 BindingDB Entry DOI: 10.7270/Q2SB46HX
Amura Therapeutics Limited, Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50318879 (CHEMBL607169 \| N-((S)-1-((3aR,6aS)-4-benzoyl-6-oxo...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. Curated by ChEMBL					Assay Description Inhibition of cathepsin K at enzyme-substrate complex state				J Med Chem 53: 4332-53 (2010) Article DOI: 10.1021/jm9018756 BindingDB Entry DOI: 10.7270/Q21R6QPF
Amgen, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50318879 (CHEMBL607169 \| N-((S)-1-((3aR,6aS)-4-benzoyl-6-oxo...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	173	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amura Therapeutics Limited, Inc Curated by ChEMBL					Assay Description Binding affinity against cruzaine				Bioorg Med Chem Lett 15: 1327-31 (2005) Article DOI: 10.1016/j.bmcl.2005.01.022 BindingDB Entry DOI: 10.7270/Q2SB46HX
Amura Therapeutics Limited, Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Cysteine proteinase B (Leishmania mexicana)	BDBM50318879 (CHEMBL607169 \| N-((S)-1-((3aR,6aS)-4-benzoyl-6-oxo...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	691	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amura Therapeutics Limited, Inc Curated by ChEMBL					Assay Description Binding affinity against Leishmania mexicana cysteine peptidase B (CPB)				Bioorg Med Chem Lett 15: 1327-31 (2005) Article DOI: 10.1016/j.bmcl.2005.01.022 BindingDB Entry DOI: 10.7270/Q2SB46HX
Amura Therapeutics Limited, Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50318879 (CHEMBL607169 \| N-((S)-1-((3aR,6aS)-4-benzoyl-6-oxo...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amura Therapeutics Limited, Inc Curated by ChEMBL					Assay Description Binding affinity against cathepsin S				Bioorg Med Chem Lett 15: 1327-31 (2005) Article DOI: 10.1016/j.bmcl.2005.01.022 BindingDB Entry DOI: 10.7270/Q2SB46HX
Amura Therapeutics Limited, Inc Curated by ChEMBL					More data for this Ligand-Target Pair