Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 492.6 BDBM19761

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

Found 3 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))	BDBM19761 ((2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-4-methyl-...) Show SMILES CC(C)C[C@H](NC(=O)CN1CCN(CC1)c1ccncc1)C(=O)N[C@@H](COCc1ccccc1)C#N |r| Show InChI InChI=1S/C27H36N6O3/c1-21(2)16-25(27(35)30-23(17-28)20-36-19-22-6-4-3-5-7-22)31-26(34)18-32-12-14-33(15-13-32)24-8-10-29-11-9-24/h3-11,21,23,25H,12-16,18-20H2,1-2H3,(H,30,35)(H,31,34)/t23-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	7.0	22
Novartis Pharmaceuticals					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				Bioorg Med Chem Lett 16: 2549-54 (2006) Article DOI: 10.1016/j.bmcl.2006.01.104 BindingDB Entry DOI: 10.7270/Q2XG9PFB
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19761 ((2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-4-methyl-...) Show SMILES CC(C)C[C@H](NC(=O)CN1CCN(CC1)c1ccncc1)C(=O)N[C@@H](COCc1ccccc1)C#N |r| Show InChI InChI=1S/C27H36N6O3/c1-21(2)16-25(27(35)30-23(17-28)20-36-19-22-6-4-3-5-7-22)31-26(34)18-32-12-14-33(15-13-32)24-8-10-29-11-9-24/h3-11,21,23,25H,12-16,18-20H2,1-2H3,(H,30,35)(H,31,34)/t23-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				Bioorg Med Chem Lett 16: 2549-54 (2006) Article DOI: 10.1016/j.bmcl.2006.01.104 BindingDB Entry DOI: 10.7270/Q2XG9PFB
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19761 ((2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-4-methyl-...) Show SMILES CC(C)C[C@H](NC(=O)CN1CCN(CC1)c1ccncc1)C(=O)N[C@@H](COCc1ccccc1)C#N |r| Show InChI InChI=1S/C27H36N6O3/c1-21(2)16-25(27(35)30-23(17-28)20-36-19-22-6-4-3-5-7-22)31-26(34)18-32-12-14-33(15-13-32)24-8-10-29-11-9-24/h3-11,21,23,25H,12-16,18-20H2,1-2H3,(H,30,35)(H,31,34)/t23-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	5.5	22
Novartis Pharmaceuticals					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				Bioorg Med Chem Lett 16: 2549-54 (2006) Article DOI: 10.1016/j.bmcl.2006.01.104 BindingDB Entry DOI: 10.7270/Q2XG9PFB
					More data for this Ligand-Target Pair