Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 482.5 BDBM50410976

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cathepsin K (Homo sapiens (Human))	BDBM50410976 (CHEMBL379157) Show SMILES CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(F)cc1)C(=O)c1nnc(o1)-c1ccco1 Show InChI InChI=1S/C25H27FN4O5/c1-2-7-18(20(31)23-30-29-22(35-23)19-8-6-15-34-19)27-24(33)25(13-4-3-5-14-25)28-21(32)16-9-11-17(26)12-10-16/h6,8-12,15,18H,2-5,7,13-14H2,1H3,(H,27,33)(H,28,32)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics, Inc. Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				Bioorg Med Chem Lett 16: 2909-14 (2006) Article DOI: 10.1016/j.bmcl.2006.03.001 BindingDB Entry DOI: 10.7270/Q2QN6808
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50410976 (CHEMBL379157) Show SMILES CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(F)cc1)C(=O)c1nnc(o1)-c1ccco1 Show InChI InChI=1S/C25H27FN4O5/c1-2-7-18(20(31)23-30-29-22(35-23)19-8-6-15-34-19)27-24(33)25(13-4-3-5-14-25)28-21(32)16-9-11-17(26)12-10-16/h6,8-12,15,18H,2-5,7,13-14H2,1H3,(H,27,33)(H,28,32)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics, Inc. Curated by ChEMBL					Assay Description Inhibition of human cathepsin S				Bioorg Med Chem Lett 16: 2909-14 (2006) Article DOI: 10.1016/j.bmcl.2006.03.001 BindingDB Entry DOI: 10.7270/Q2QN6808
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50410976 (CHEMBL379157) Show SMILES CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(F)cc1)C(=O)c1nnc(o1)-c1ccco1 Show InChI InChI=1S/C25H27FN4O5/c1-2-7-18(20(31)23-30-29-22(35-23)19-8-6-15-34-19)27-24(33)25(13-4-3-5-14-25)28-21(32)16-9-11-17(26)12-10-16/h6,8-12,15,18H,2-5,7,13-14H2,1H3,(H,27,33)(H,28,32)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics, Inc. Curated by ChEMBL					Assay Description Inhibition of human cathepsin B				Bioorg Med Chem Lett 16: 2909-14 (2006) Article DOI: 10.1016/j.bmcl.2006.03.001 BindingDB Entry DOI: 10.7270/Q2QN6808
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50410976 (CHEMBL379157) Show SMILES CCC[C@H](NC(=O)C1(CCCCC1)NC(=O)c1ccc(F)cc1)C(=O)c1nnc(o1)-c1ccco1 Show InChI InChI=1S/C25H27FN4O5/c1-2-7-18(20(31)23-30-29-22(35-23)19-8-6-15-34-19)27-24(33)25(13-4-3-5-14-25)28-21(32)16-9-11-17(26)12-10-16/h6,8-12,15,18H,2-5,7,13-14H2,1H3,(H,27,33)(H,28,32)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Genomics, Inc. Curated by ChEMBL					Assay Description Inhibition of human cathepsin L				Bioorg Med Chem Lett 16: 2909-14 (2006) Article DOI: 10.1016/j.bmcl.2006.03.001 BindingDB Entry DOI: 10.7270/Q2QN6808
					More data for this Ligand-Target Pair