BDBM50138872 CHEMBL346739::[(S)-1-(2-Isobutyl-2H-pyrazol-3-ylaminooxalyl)-pentyl]-carbamic acid 1-isopropyl-2-methyl-propyl ester

SMILES: CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccnn1CC(C)C

InChI Key: InChIKey=KKQUPLHXYMAZOT-KRWDZBQOSA-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 = 50138872   

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 K (Homo sapiens (Human))	BDBM50138872 (CHEMBL346739 | [(S)-1-(2-Isobutyl-2H-pyrazol-3-yla...) Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccnn1CC(C)C Show InChI InChI=1S/C22H38N4O4/c1-8-9-10-17(24-22(29)30-20(15(4)5)16(6)7)19(27)21(28)25-18-11-12-23-26(18)13-14(2)3/h11-12,14-17,20H,8-10,13H2,1-7H3,(H,24,29)(H,25,28)/t17-/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	39	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of cysteine protease cathepsin K of human				J Med Chem 47: 588-99 (2004) Article DOI: 10.1021/jm030373l BindingDB Entry DOI: 10.7270/Q29S1QF7
					More data for this Ligand-Target Pair
Cathepsin K (Rattus norvegicus)	BDBM50138872 (CHEMBL346739 | [(S)-1-(2-Isobutyl-2H-pyrazol-3-yla...) Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccnn1CC(C)C Show InChI InChI=1S/C22H38N4O4/c1-8-9-10-17(24-22(29)30-20(15(4)5)16(6)7)19(27)21(28)25-18-11-12-23-26(18)13-14(2)3/h11-12,14-17,20H,8-10,13H2,1-7H3,(H,24,29)(H,25,28)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of cystiene protease cathepsin K of rat				J Med Chem 47: 588-99 (2004) Article DOI: 10.1021/jm030373l BindingDB Entry DOI: 10.7270/Q29S1QF7
					More data for this Ligand-Target Pair