BDBM50138842 2,4-dimethylpentan-3-yl(S)-1,2-dioxo-1-((R)-1-phenylethylamino)heptan-3-ylcarbamate::CHEMBL84691::[(S)-1-((R)-1-Phenyl-ethylaminooxalyl)-pentyl]-carbamic acid 1-isopropyl-2-methyl-propyl ester::[(S)-1-(4-Bromo-1H-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)N[C@H](C)c1ccccc1

InChI Key: InChIKey=XZSGGBXVBKHOFH-MJGOQNOKSA-N

Data: 5 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 5 hits for monomerid = 50138842   

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))	BDBM50138842 (2,4-dimethylpentan-3-yl(S)-1,2-dioxo-1-((R)-1-phen...) Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C23H36N2O4/c1-7-8-14-19(25-23(28)29-21(15(2)3)16(4)5)20(26)22(27)24-17(6)18-12-10-9-11-13-18/h9-13,15-17,19,21H,7-8,14H2,1-6H3,(H,24,27)(H,25,28)/t17-,19+/m1/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	2.54	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)	BDBM50138842 (2,4-dimethylpentan-3-yl(S)-1,2-dioxo-1-((R)-1-phen...) Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C23H36N2O4/c1-7-8-14-19(25-23(28)29-21(15(2)3)16(4)5)20(26)22(27)24-17(6)18-12-10-9-11-13-18/h9-13,15-17,19,21H,7-8,14H2,1-6H3,(H,24,27)(H,25,28)/t17-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory activity of the compound against rat cathepsin K				Bioorg Med Chem Lett 14: 719-22 (2004) BindingDB Entry DOI: 10.7270/Q2QV3KX1
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50138842 (2,4-dimethylpentan-3-yl(S)-1,2-dioxo-1-((R)-1-phen...) Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C23H36N2O4/c1-7-8-14-19(25-23(28)29-21(15(2)3)16(4)5)20(26)22(27)24-17(6)18-12-10-9-11-13-18/h9-13,15-17,19,21H,7-8,14H2,1-6H3,(H,24,27)(H,25,28)/t17-,19+/m1/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	2.51	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				Eur J Med Chem 45: 667-81 (2010) Article DOI: 10.1016/j.ejmech.2009.11.010 BindingDB Entry DOI: 10.7270/Q29C6ZP1
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50138842 (2,4-dimethylpentan-3-yl(S)-1,2-dioxo-1-((R)-1-phen...) Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C23H36N2O4/c1-7-8-14-19(25-23(28)29-21(15(2)3)16(4)5)20(26)22(27)24-17(6)18-12-10-9-11-13-18/h9-13,15-17,19,21H,7-8,14H2,1-6H3,(H,24,27)(H,25,28)/t17-,19+/m1/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	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against recombinant human cathepsin K				Bioorg Med Chem Lett 14: 2543-6 (2004) Article DOI: 10.1016/j.bmcl.2004.02.085 BindingDB Entry DOI: 10.7270/Q2CN73BZ
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50138842 (2,4-dimethylpentan-3-yl(S)-1,2-dioxo-1-((R)-1-phen...) Show SMILES CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C23H36N2O4/c1-7-8-14-19(25-23(28)29-21(15(2)3)16(4)5)20(26)22(27)24-17(6)18-12-10-9-11-13-18/h9-13,15-17,19,21H,7-8,14H2,1-6H3,(H,24,27)(H,25,28)/t17-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory activity against human cathepsin K				Bioorg Med Chem Lett 14: 719-22 (2004) BindingDB Entry DOI: 10.7270/Q2QV3KX1
					More data for this Ligand-Target Pair