BDBM50152527 (1-benzylcyclobutyl)methyl(S)-1,2-dioxo-1-((R)-1-phenylethylamino)heptan-3-ylcarbamate::CHEMBL366268::[(S)-1-((R)-1-Phenyl-ethylaminooxalyl)-pentyl]-carbamic acid 1-benzyl-cyclobutylmethyl ester

SMILES: CCCC[C@H](NC(=O)OCC1(Cc2ccccc2)CCC1)C(=O)C(=O)N[C@H](C)c1ccccc1

InChI Key: InChIKey=KIBPLHFGSWCUTN-QPPBQGQZSA-N

Data: 6 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 6 hits for monomerid = 50152527   

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
Pro-cathepsin H (Homo sapiens (Human))	BDBM50152527 ((1-benzylcyclobutyl)methyl(S)-1,2-dioxo-1-((R)-1-p...) Show SMILES CCCC[C@H](NC(=O)OCC1(Cc2ccccc2)CCC1)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C28H36N2O4/c1-3-4-16-24(25(31)26(32)29-21(2)23-14-9-6-10-15-23)30-27(33)34-20-28(17-11-18-28)19-22-12-7-5-8-13-22/h5-10,12-15,21,24H,3-4,11,16-20H2,1-2H3,(H,29,32)(H,30,33)/t21-,24+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of 50 uM L-Arg-beta-naphthalamide binding to human cathepsin H in fluorescence assay				Bioorg Med Chem Lett 14: 4897-902 (2004) Article DOI: 10.1016/j.bmcl.2004.07.031 BindingDB Entry DOI: 10.7270/Q26W99JR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50152527 ((1-benzylcyclobutyl)methyl(S)-1,2-dioxo-1-((R)-1-p...) Show SMILES CCCC[C@H](NC(=O)OCC1(Cc2ccccc2)CCC1)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C28H36N2O4/c1-3-4-16-24(25(31)26(32)29-21(2)23-14-9-6-10-15-23)30-27(33)34-20-28(17-11-18-28)19-22-12-7-5-8-13-22/h5-10,12-15,21,24H,3-4,11,16-20H2,1-2H3,(H,29,32)(H,30,33)/t21-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of 10 uM Cbz-Val-Val-Arg-AMC binding to human cathepsin S in fluorescence assay				Bioorg Med Chem Lett 14: 4897-902 (2004) Article DOI: 10.1016/j.bmcl.2004.07.031 BindingDB Entry DOI: 10.7270/Q26W99JR
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50152527 ((1-benzylcyclobutyl)methyl(S)-1,2-dioxo-1-((R)-1-p...) Show SMILES CCCC[C@H](NC(=O)OCC1(Cc2ccccc2)CCC1)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C28H36N2O4/c1-3-4-16-24(25(31)26(32)29-21(2)23-14-9-6-10-15-23)30-27(33)34-20-28(17-11-18-28)19-22-12-7-5-8-13-22/h5-10,12-15,21,24H,3-4,11,16-20H2,1-2H3,(H,29,32)(H,30,33)/t21-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.51	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))	BDBM50152527 ((1-benzylcyclobutyl)methyl(S)-1,2-dioxo-1-((R)-1-p...) Show SMILES CCCC[C@H](NC(=O)OCC1(Cc2ccccc2)CCC1)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C28H36N2O4/c1-3-4-16-24(25(31)26(32)29-21(2)23-14-9-6-10-15-23)30-27(33)34-20-28(17-11-18-28)19-22-12-7-5-8-13-22/h5-10,12-15,21,24H,3-4,11,16-20H2,1-2H3,(H,29,32)(H,30,33)/t21-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				Bioorg Med Chem Lett 14: 4897-902 (2004) Article DOI: 10.1016/j.bmcl.2004.07.031 BindingDB Entry DOI: 10.7270/Q26W99JR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50152527 ((1-benzylcyclobutyl)methyl(S)-1,2-dioxo-1-((R)-1-p...) Show SMILES CCCC[C@H](NC(=O)OCC1(Cc2ccccc2)CCC1)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C28H36N2O4/c1-3-4-16-24(25(31)26(32)29-21(2)23-14-9-6-10-15-23)30-27(33)34-20-28(17-11-18-28)19-22-12-7-5-8-13-22/h5-10,12-15,21,24H,3-4,11,16-20H2,1-2H3,(H,29,32)(H,30,33)/t21-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of 5 uM Cbz-Phe-Arg-AMC human cathepsin L in fluorescence assay				Bioorg Med Chem Lett 14: 4897-902 (2004) Article DOI: 10.1016/j.bmcl.2004.07.031 BindingDB Entry DOI: 10.7270/Q26W99JR
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50152527 ((1-benzylcyclobutyl)methyl(S)-1,2-dioxo-1-((R)-1-p...) Show SMILES CCCC[C@H](NC(=O)OCC1(Cc2ccccc2)CCC1)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C28H36N2O4/c1-3-4-16-24(25(31)26(32)29-21(2)23-14-9-6-10-15-23)30-27(33)34-20-28(17-11-18-28)19-22-12-7-5-8-13-22/h5-10,12-15,21,24H,3-4,11,16-20H2,1-2H3,(H,29,32)(H,30,33)/t21-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of 10 uM Cbz-Phe-Arg-AMC binding to human cathepsin B in fluorescence assay				Bioorg Med Chem Lett 14: 4897-902 (2004) Article DOI: 10.1016/j.bmcl.2004.07.031 BindingDB Entry DOI: 10.7270/Q26W99JR
					More data for this Ligand-Target Pair