BDBM50165422 CHEMBL195301::[(S)-1-((R)-1-Phenyl-ethylaminooxalyl)-pentyl]-carbamic acid (3R,5R)-3,5-dimethyl-cyclohexyl ester

SMILES: CCCC[C@H](NC(=O)OC1C[C@H](C)C[C@@H](C)C1)C(=O)C(=O)N[C@H](C)c1ccccc1

InChI Key: InChIKey=ZXHXXGCJLDYHEB-IKVWTGGYSA-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 = 50165422   

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))	BDBM50165422 (CHEMBL195301 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...) Show SMILES CCCC[C@H](NC(=O)OC1C[C@H](C)C[C@@H](C)C1)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C24H36N2O4/c1-5-6-12-21(26-24(29)30-20-14-16(2)13-17(3)15-20)22(27)23(28)25-18(4)19-10-8-7-9-11-19/h7-11,16-18,20-21H,5-6,12-15H2,1-4H3,(H,25,28)(H,26,29)/t16-,17-,18-,21+/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
Procathepsin L (Homo sapiens (Human))	BDBM50165422 (CHEMBL195301 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...) Show SMILES CCCC[C@H](NC(=O)OC1C[C@H](C)C[C@@H](C)C1)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C24H36N2O4/c1-5-6-12-21(26-24(29)30-20-14-16(2)13-17(3)15-20)22(27)23(28)25-18(4)19-10-8-7-9-11-19/h7-11,16-18,20-21H,5-6,12-15H2,1-4H3,(H,25,28)(H,26,29)/t16-,17-,18-,21+/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	6.80E+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
Cathepsin K (Homo sapiens (Human))	BDBM50165422 (CHEMBL195301 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...) Show SMILES CCCC[C@H](NC(=O)OC1C[C@H](C)C[C@@H](C)C1)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C24H36N2O4/c1-5-6-12-21(26-24(29)30-20-14-16(2)13-17(3)15-20)22(27)23(28)25-18(4)19-10-8-7-9-11-19/h7-11,16-18,20-21H,5-6,12-15H2,1-4H3,(H,25,28)(H,26,29)/t16-,17-,18-,21+/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	190	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 L2 (Homo sapiens (Human))	BDBM50165422 (CHEMBL195301 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...) Show SMILES CCCC[C@H](NC(=O)OC1C[C@H](C)C[C@@H](C)C1)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C24H36N2O4/c1-5-6-12-21(26-24(29)30-20-14-16(2)13-17(3)15-20)22(27)23(28)25-18(4)19-10-8-7-9-11-19/h7-11,16-18,20-21H,5-6,12-15H2,1-4H3,(H,25,28)(H,26,29)/t16-,17-,18-,21+/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	2.00E+3	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
Cathepsin B (Homo sapiens (Human))	BDBM50165422 (CHEMBL195301 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...) Show SMILES CCCC[C@H](NC(=O)OC1C[C@H](C)C[C@@H](C)C1)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C24H36N2O4/c1-5-6-12-21(26-24(29)30-20-14-16(2)13-17(3)15-20)22(27)23(28)25-18(4)19-10-8-7-9-11-19/h7-11,16-18,20-21H,5-6,12-15H2,1-4H3,(H,25,28)(H,26,29)/t16-,17-,18-,21+/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	>1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against human cathepsin 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))	BDBM50165422 (CHEMBL195301 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...) Show SMILES CCCC[C@H](NC(=O)OC1C[C@H](C)C[C@@H](C)C1)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C24H36N2O4/c1-5-6-12-21(26-24(29)30-20-14-16(2)13-17(3)15-20)22(27)23(28)25-18(4)19-10-8-7-9-11-19/h7-11,16-18,20-21H,5-6,12-15H2,1-4H3,(H,25,28)(H,26,29)/t16-,17-,18-,21+/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	290	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