BDBM50163831 (2S)-1-cyclohexylpropan-2-yl 1-cyanoazetidine-2-carboxylate::CHEMBL183812

SMILES: C[C@@H](CC1CCCCC1)OC(=O)C1CCN1C#N

InChI Key: InChIKey=BEMWXCUECCHZDO-AMGKYWFPSA-N

Data: 4 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 4 hits for monomerid = 50163831   

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))	BDBM50163831 ((2S)-1-cyclohexylpropan-2-yl 1-cyanoazetidine-2-ca...) Show SMILES C[C@@H](CC1CCCCC1)OC(=O)C1CCN1C#N Show InChI InChI=1S/C14H22N2O2/c1-11(9-12-5-3-2-4-6-12)18-14(17)13-7-8-16(13)10-15/h11-13H,2-9H2,1H3/t11-,13?/m0/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	40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against human cathepsin H using 50 uM L-Arg-beta-naphthalamide				Bioorg Med Chem Lett 15: 1815-9 (2005) Article DOI: 10.1016/j.bmcl.2005.02.033 BindingDB Entry DOI: 10.7270/Q2DR2V1G
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50163831 ((2S)-1-cyclohexylpropan-2-yl 1-cyanoazetidine-2-ca...) Show SMILES C[C@@H](CC1CCCCC1)OC(=O)C1CCN1C#N Show InChI InChI=1S/C14H22N2O2/c1-11(9-12-5-3-2-4-6-12)18-14(17)13-7-8-16(13)10-15/h11-13H,2-9H2,1H3/t11-,13?/m0/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	0.0480	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against human cathepsin K using 10 uM Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 15: 1815-9 (2005) Article DOI: 10.1016/j.bmcl.2005.02.033 BindingDB Entry DOI: 10.7270/Q2DR2V1G
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50163831 ((2S)-1-cyclohexylpropan-2-yl 1-cyanoazetidine-2-ca...) Show SMILES C[C@@H](CC1CCCCC1)OC(=O)C1CCN1C#N Show InChI InChI=1S/C14H22N2O2/c1-11(9-12-5-3-2-4-6-12)18-14(17)13-7-8-16(13)10-15/h11-13H,2-9H2,1H3/t11-,13?/m0/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	2.40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against human cathepsin B using 10 uM Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 15: 1815-9 (2005) Article DOI: 10.1016/j.bmcl.2005.02.033 BindingDB Entry DOI: 10.7270/Q2DR2V1G
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50163831 ((2S)-1-cyclohexylpropan-2-yl 1-cyanoazetidine-2-ca...) Show SMILES C[C@@H](CC1CCCCC1)OC(=O)C1CCN1C#N Show InChI InChI=1S/C14H22N2O2/c1-11(9-12-5-3-2-4-6-12)18-14(17)13-7-8-16(13)10-15/h11-13H,2-9H2,1H3/t11-,13?/m0/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	0.710	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against human cathepsin L using 5 uM Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 15: 1815-9 (2005) Article DOI: 10.1016/j.bmcl.2005.02.033 BindingDB Entry DOI: 10.7270/Q2DR2V1G
					More data for this Ligand-Target Pair