BDBM50165423 CHEMBL193582::[(S)-1-((R)-1-Phenyl-ethylaminooxalyl)-pentyl]-carbamic acid 1,3,3-trimethyl-bicyclo[2.2.1]hept-2-yl ester

SMILES: CCCC[C@H](NC(=O)OC1C2(C)CCC(C2)C1(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1

InChI Key: InChIKey=JKRUSRGXYHQECR-MKMBBUPXSA-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 = 50165423   

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))	BDBM50165423 (CHEMBL193582 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...) Show SMILES CCCC[C@H](NC(=O)OC1C2(C)CCC(C2)C1(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 |TLB:8:9:15:12.13| Show InChI InChI=1S/C26H38N2O4/c1-6-7-13-20(21(29)22(30)27-17(2)18-11-9-8-10-12-18)28-24(31)32-23-25(3,4)19-14-15-26(23,5)16-19/h8-12,17,19-20,23H,6-7,13-16H2,1-5H3,(H,27,30)(H,28,31)/t17-,19?,20+,23?,26?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against human cathepsin H by fluorescence assay using 50 uM L-Arg-b-naphthalamide				Bioorg Med Chem Lett 15: 2209-13 (2005) Article DOI: 10.1016/j.bmcl.2005.03.023 BindingDB Entry DOI: 10.7270/Q20C4V8V
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50165423 (CHEMBL193582 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...) Show SMILES CCCC[C@H](NC(=O)OC1C2(C)CCC(C2)C1(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 |TLB:8:9:15:12.13| Show InChI InChI=1S/C26H38N2O4/c1-6-7-13-20(21(29)22(30)27-17(2)18-11-9-8-10-12-18)28-24(31)32-23-25(3,4)19-14-15-26(23,5)16-19/h8-12,17,19-20,23H,6-7,13-16H2,1-5H3,(H,27,30)(H,28,31)/t17-,19?,20+,23?,26?/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	5.70	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against human cathepsin K				Bioorg Med Chem Lett 15: 2209-13 (2005) Article DOI: 10.1016/j.bmcl.2005.03.023 BindingDB Entry DOI: 10.7270/Q20C4V8V
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50165423 (CHEMBL193582 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...) Show SMILES CCCC[C@H](NC(=O)OC1C2(C)CCC(C2)C1(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 |TLB:8:9:15:12.13| Show InChI InChI=1S/C26H38N2O4/c1-6-7-13-20(21(29)22(30)27-17(2)18-11-9-8-10-12-18)28-24(31)32-23-25(3,4)19-14-15-26(23,5)16-19/h8-12,17,19-20,23H,6-7,13-16H2,1-5H3,(H,27,30)(H,28,31)/t17-,19?,20+,23?,26?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against human cathepsin B by fluorescence assay using 10 uM Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 15: 2209-13 (2005) Article DOI: 10.1016/j.bmcl.2005.03.023 BindingDB Entry DOI: 10.7270/Q20C4V8V
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50165423 (CHEMBL193582 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...) Show SMILES CCCC[C@H](NC(=O)OC1C2(C)CCC(C2)C1(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 |TLB:8:9:15:12.13| Show InChI InChI=1S/C26H38N2O4/c1-6-7-13-20(21(29)22(30)27-17(2)18-11-9-8-10-12-18)28-24(31)32-23-25(3,4)19-14-15-26(23,5)16-19/h8-12,17,19-20,23H,6-7,13-16H2,1-5H3,(H,27,30)(H,28,31)/t17-,19?,20+,23?,26?/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	30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against human cathepsin S by fluorescence assay using 10 uM Cbz-Val-Val-Arg-AMC				Bioorg Med Chem Lett 15: 2209-13 (2005) Article DOI: 10.1016/j.bmcl.2005.03.023 BindingDB Entry DOI: 10.7270/Q20C4V8V
					More data for this Ligand-Target Pair
Cathepsin L2 (Homo sapiens (Human))	BDBM50165423 (CHEMBL193582 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...) Show SMILES CCCC[C@H](NC(=O)OC1C2(C)CCC(C2)C1(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 |TLB:8:9:15:12.13| Show InChI InChI=1S/C26H38N2O4/c1-6-7-13-20(21(29)22(30)27-17(2)18-11-9-8-10-12-18)28-24(31)32-23-25(3,4)19-14-15-26(23,5)16-19/h8-12,17,19-20,23H,6-7,13-16H2,1-5H3,(H,27,30)(H,28,31)/t17-,19?,20+,23?,26?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against human cathepsin V by fluorescence assay using 2 uM Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 15: 2209-13 (2005) Article DOI: 10.1016/j.bmcl.2005.03.023 BindingDB Entry DOI: 10.7270/Q20C4V8V
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50165423 (CHEMBL193582 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...) Show SMILES CCCC[C@H](NC(=O)OC1C2(C)CCC(C2)C1(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 |TLB:8:9:15:12.13| Show InChI InChI=1S/C26H38N2O4/c1-6-7-13-20(21(29)22(30)27-17(2)18-11-9-8-10-12-18)28-24(31)32-23-25(3,4)19-14-15-26(23,5)16-19/h8-12,17,19-20,23H,6-7,13-16H2,1-5H3,(H,27,30)(H,28,31)/t17-,19?,20+,23?,26?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against human cathepsin L by fluorescence assay using 5 uM Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 15: 2209-13 (2005) Article DOI: 10.1016/j.bmcl.2005.03.023 BindingDB Entry DOI: 10.7270/Q20C4V8V
					More data for this Ligand-Target Pair