BDBM50152523 CHEMBL180528::[(S)-5-[(Morpholine-4-carbonyl)-amino]-1-((R)-1-phenyl-ethylaminooxalyl)-pentyl]-carbamic acid 1-(4-fluoro-benzyl)-cyclobutylmethyl ester

SMILES: C[C@@H](NC(=O)C(=O)[C@H](CCCCNC(=O)N1CCOCC1)NC(=O)OCC1(Cc2ccc(F)cc2)CCC1)c1ccccc1

InChI Key: InChIKey=BSRQMYCWEZBYDT-YWEHKCAJSA-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 = 50152523   

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))	BDBM50152523 (CHEMBL180528 | [(S)-5-[(Morpholine-4-carbonyl)-ami...) Show SMILES C[C@@H](NC(=O)C(=O)[C@H](CCCCNC(=O)N1CCOCC1)NC(=O)OCC1(Cc2ccc(F)cc2)CCC1)c1ccccc1 Show InChI InChI=1S/C33H43FN4O6/c1-24(26-8-3-2-4-9-26)36-30(40)29(39)28(10-5-6-17-35-31(41)38-18-20-43-21-19-38)37-32(42)44-23-33(15-7-16-33)22-25-11-13-27(34)14-12-25/h2-4,8-9,11-14,24,28H,5-7,10,15-23H2,1H3,(H,35,41)(H,36,40)(H,37,42)/t24-,28+/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 B (Homo sapiens (Human))	BDBM50152523 (CHEMBL180528 | [(S)-5-[(Morpholine-4-carbonyl)-ami...) Show SMILES C[C@@H](NC(=O)C(=O)[C@H](CCCCNC(=O)N1CCOCC1)NC(=O)OCC1(Cc2ccc(F)cc2)CCC1)c1ccccc1 Show InChI InChI=1S/C33H43FN4O6/c1-24(26-8-3-2-4-9-26)36-30(40)29(39)28(10-5-6-17-35-31(41)38-18-20-43-21-19-38)37-32(42)44-23-33(15-7-16-33)22-25-11-13-27(34)14-12-25/h2-4,8-9,11-14,24,28H,5-7,10,15-23H2,1H3,(H,35,41)(H,36,40)(H,37,42)/t24-,28+/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	>5.00E+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
Cathepsin S (Homo sapiens (Human))	BDBM50152523 (CHEMBL180528 | [(S)-5-[(Morpholine-4-carbonyl)-ami...) Show SMILES C[C@@H](NC(=O)C(=O)[C@H](CCCCNC(=O)N1CCOCC1)NC(=O)OCC1(Cc2ccc(F)cc2)CCC1)c1ccccc1 Show InChI InChI=1S/C33H43FN4O6/c1-24(26-8-3-2-4-9-26)36-30(40)29(39)28(10-5-6-17-35-31(41)38-18-20-43-21-19-38)37-32(42)44-23-33(15-7-16-33)22-25-11-13-27(34)14-12-25/h2-4,8-9,11-14,24,28H,5-7,10,15-23H2,1H3,(H,35,41)(H,36,40)(H,37,42)/t24-,28+/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	27	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
Procathepsin L (Homo sapiens (Human))	BDBM50152523 (CHEMBL180528 | [(S)-5-[(Morpholine-4-carbonyl)-ami...) Show SMILES C[C@@H](NC(=O)C(=O)[C@H](CCCCNC(=O)N1CCOCC1)NC(=O)OCC1(Cc2ccc(F)cc2)CCC1)c1ccccc1 Show InChI InChI=1S/C33H43FN4O6/c1-24(26-8-3-2-4-9-26)36-30(40)29(39)28(10-5-6-17-35-31(41)38-18-20-43-21-19-38)37-32(42)44-23-33(15-7-16-33)22-25-11-13-27(34)14-12-25/h2-4,8-9,11-14,24,28H,5-7,10,15-23H2,1H3,(H,35,41)(H,36,40)(H,37,42)/t24-,28+/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	680	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 K (Homo sapiens (Human))	BDBM50152523 (CHEMBL180528 | [(S)-5-[(Morpholine-4-carbonyl)-ami...) Show SMILES C[C@@H](NC(=O)C(=O)[C@H](CCCCNC(=O)N1CCOCC1)NC(=O)OCC1(Cc2ccc(F)cc2)CCC1)c1ccccc1 Show InChI InChI=1S/C33H43FN4O6/c1-24(26-8-3-2-4-9-26)36-30(40)29(39)28(10-5-6-17-35-31(41)38-18-20-43-21-19-38)37-32(42)44-23-33(15-7-16-33)22-25-11-13-27(34)14-12-25/h2-4,8-9,11-14,24,28H,5-7,10,15-23H2,1H3,(H,35,41)(H,36,40)(H,37,42)/t24-,28+/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	13	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