BDBM19765 (2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-4-methyl-2-[(1-methyl-1H-indol-2-yl)formamido]pentanamide::dipeptidyl nitrile, 16f

SMILES: CC(C)C[C@H](NC(=O)c1cc2ccccc2n1C)C(=O)N[C@@H](COCc1ccccc1)C#N

InChI Key: InChIKey=ASGHMQMKSKMSAX-YADHBBJMSA-N

Data: 3 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 3 hits for monomerid = 19765   

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
Cathepsin K (Homo sapiens (Human))	BDBM19765 ((2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-4-methyl-...) Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2n1C)C(=O)N[C@@H](COCc1ccccc1)C#N |r| Show InChI InChI=1S/C26H30N4O3/c1-18(2)13-22(29-26(32)24-14-20-11-7-8-12-23(20)30(24)3)25(31)28-21(15-27)17-33-16-19-9-5-4-6-10-19/h4-12,14,18,21-22H,13,16-17H2,1-3H3,(H,28,31)(H,29,32)/t21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	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))	BDBM19765 ((2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-4-methyl-...) Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2n1C)C(=O)N[C@@H](COCc1ccccc1)C#N |r| Show InChI InChI=1S/C26H30N4O3/c1-18(2)13-22(29-26(32)24-14-20-11-7-8-12-23(20)30(24)3)25(31)28-21(15-27)17-33-16-19-9-5-4-6-10-19/h4-12,14,18,21-22H,13,16-17H2,1-3H3,(H,28,31)(H,29,32)/t21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	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))	BDBM19765 ((2S)-N-[(1R)-2-(benzyloxy)-1-cyanoethyl]-4-methyl-...) Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2n1C)C(=O)N[C@@H](COCc1ccccc1)C#N |r| Show InChI InChI=1S/C26H30N4O3/c1-18(2)13-22(29-26(32)24-14-20-11-7-8-12-23(20)30(24)3)25(31)28-21(15-27)17-33-16-19-9-5-4-6-10-19/h4-12,14,18,21-22H,13,16-17H2,1-3H3,(H,28,31)(H,29,32)/t21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	83	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