BDBM50152530 CHEMBL186650::P2,P3 Ketoamide derivative

SMILES: CN(C)S(=O)(=O)NCCCC[C@H](NC(=O)OCC1(Cc2ccc(F)cc2)CCC1)C(=O)C(=O)NCc1cccnc1

InChI Key: InChIKey=AAYZJXOZLLKNGZ-DEOSSOPVSA-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 = 50152530   

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))	BDBM50152530 (CHEMBL186650 | P2,P3 Ketoamide derivative) Show SMILES CN(C)S(=O)(=O)NCCCC[C@H](NC(=O)OCC1(Cc2ccc(F)cc2)CCC1)C(=O)C(=O)NCc1cccnc1 Show InChI InChI=1S/C28H38FN5O6S/c1-34(2)41(38,39)32-16-4-3-8-24(25(35)26(36)31-19-22-7-5-15-30-18-22)33-27(37)40-20-28(13-6-14-28)17-21-9-11-23(29)12-10-21/h5,7,9-12,15,18,24,32H,3-4,6,8,13-14,16-17,19-20H2,1-2H3,(H,31,36)(H,33,37)/t24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	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))	BDBM50152530 (CHEMBL186650 | P2,P3 Ketoamide derivative) Show SMILES CN(C)S(=O)(=O)NCCCC[C@H](NC(=O)OCC1(Cc2ccc(F)cc2)CCC1)C(=O)C(=O)NCc1cccnc1 Show InChI InChI=1S/C28H38FN5O6S/c1-34(2)41(38,39)32-16-4-3-8-24(25(35)26(36)31-19-22-7-5-15-30-18-22)33-27(37)40-20-28(13-6-14-28)17-21-9-11-23(29)12-10-21/h5,7,9-12,15,18,24,32H,3-4,6,8,13-14,16-17,19-20H2,1-2H3,(H,31,36)(H,33,37)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	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
Procathepsin L (Homo sapiens (Human))	BDBM50152530 (CHEMBL186650 | P2,P3 Ketoamide derivative) Show SMILES CN(C)S(=O)(=O)NCCCC[C@H](NC(=O)OCC1(Cc2ccc(F)cc2)CCC1)C(=O)C(=O)NCc1cccnc1 Show InChI InChI=1S/C28H38FN5O6S/c1-34(2)41(38,39)32-16-4-3-8-24(25(35)26(36)31-19-22-7-5-15-30-18-22)33-27(37)40-20-28(13-6-14-28)17-21-9-11-23(29)12-10-21/h5,7,9-12,15,18,24,32H,3-4,6,8,13-14,16-17,19-20H2,1-2H3,(H,31,36)(H,33,37)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	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 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))	BDBM50152530 (CHEMBL186650 | P2,P3 Ketoamide derivative) Show SMILES CN(C)S(=O)(=O)NCCCC[C@H](NC(=O)OCC1(Cc2ccc(F)cc2)CCC1)C(=O)C(=O)NCc1cccnc1 Show InChI InChI=1S/C28H38FN5O6S/c1-34(2)41(38,39)32-16-4-3-8-24(25(35)26(36)31-19-22-7-5-15-30-18-22)33-27(37)40-20-28(13-6-14-28)17-21-9-11-23(29)12-10-21/h5,7,9-12,15,18,24,32H,3-4,6,8,13-14,16-17,19-20H2,1-2H3,(H,31,36)(H,33,37)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	40	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
Cathepsin S (Homo sapiens (Human))	BDBM50152530 (CHEMBL186650 | P2,P3 Ketoamide derivative) Show SMILES CN(C)S(=O)(=O)NCCCC[C@H](NC(=O)OCC1(Cc2ccc(F)cc2)CCC1)C(=O)C(=O)NCc1cccnc1 Show InChI InChI=1S/C28H38FN5O6S/c1-34(2)41(38,39)32-16-4-3-8-24(25(35)26(36)31-19-22-7-5-15-30-18-22)33-27(37)40-20-28(13-6-14-28)17-21-9-11-23(29)12-10-21/h5,7,9-12,15,18,24,32H,3-4,6,8,13-14,16-17,19-20H2,1-2H3,(H,31,36)(H,33,37)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	130	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