BindingDB PrimarySearch

BDBM50152524 (S)-(1-(4-fluorobenzyl)cyclobutyl)methyl 1-(1H-pyrazol-5-ylamino)-1,2-dioxoheptan-3-ylcarbamate::CHEMBL185097::[(S)-1-(2H-Pyrazol-3-ylaminooxalyl)-pentyl]-carbamic acid 1-(4-fluoro-benzyl)-cyclobutylmethyl ester::[1-(4-FLUOROBENZYL)CYCLOBUTYL]METHYL (1S)-1-[OXO(1H-PYRAZOL-5-YLAMINO)ACETYL]PENTYLCARBAMATE

SMILES: CCCC[C@H](NC(=O)OCC1(Cc2ccc(F)cc2)CCC1)C(=O)C(=O)Nc1ccn[nH]1

InChI Key: InChIKey=QTPYRNAKLBXKNP-SFHVURJKSA-N

Data: 6 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50152524
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
Pro-cathepsin H (Homo sapiens (Human))	BDBM50152524 ((S)-(1-(4-fluorobenzyl)cyclobutyl)methyl 1-(1H-pyr...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>500	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
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50152524 ((S)-(1-(4-fluorobenzyl)cyclobutyl)methyl 1-(1H-pyr...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	330	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
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50152524 ((S)-(1-(4-fluorobenzyl)cyclobutyl)methyl 1-(1H-pyr...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	0.832	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
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin B (Homo sapiens (Human))	BDBM50152524 ((S)-(1-(4-fluorobenzyl)cyclobutyl)methyl 1-(1H-pyr...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>500	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
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50152524 ((S)-(1-(4-fluorobenzyl)cyclobutyl)methyl 1-(1H-pyr...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	0.830	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
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin S (Homo sapiens (Human))	BDBM50152524 ((S)-(1-(4-fluorobenzyl)cyclobutyl)methyl 1-(1H-pyr...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.20	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
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair