BDBM19861 (2S)-N-(cyanomethyl)-4-methyl-2-(phenylformamido)pentanamide::nitrile dipeptide, 1

SMILES: CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)NCC#N

InChI Key: InChIKey=QCZGUQGVICOTKX-ZDUSSCGKSA-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 = 19861   

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))	BDBM19861 ((2S)-N-(cyanomethyl)-4-methyl-2-(phenylformamido)p...) Show SMILES CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)NCC#N |r| Show InChI InChI=1S/C15H19N3O2/c1-11(2)10-13(15(20)17-9-8-16)18-14(19)12-6-4-3-5-7-12/h3-7,11,13H,9-10H2,1-2H3,(H,17,20)(H,18,19)/t13-/m0/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	51	n/a	n/a	n/a	n/a	5.5	22
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19861 ((2S)-N-(cyanomethyl)-4-methyl-2-(phenylformamido)p...) Show SMILES CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)NCC#N |r| Show InChI InChI=1S/C15H19N3O2/c1-11(2)10-13(15(20)17-9-8-16)18-14(19)12-6-4-3-5-7-12/h3-7,11,13H,9-10H2,1-2H3,(H,17,20)(H,18,19)/t13-/m0/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	42	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19861 ((2S)-N-(cyanomethyl)-4-methyl-2-(phenylformamido)p...) Show SMILES CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)NCC#N |r| Show InChI InChI=1S/C15H19N3O2/c1-11(2)10-13(15(20)17-9-8-16)18-14(19)12-6-4-3-5-7-12/h3-7,11,13H,9-10H2,1-2H3,(H,17,20)(H,18,19)/t13-/m0/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	110	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using Z-L-R-AMC as substrate preincubated for 5 mins followed by substrate addition measured over 5 mins by spectroph...				Bioorg Med Chem Lett 28: 1972-1980 (2018) Article DOI: 10.1016/j.bmcl.2018.03.020 BindingDB Entry DOI: 10.7270/Q2445PZZ
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM19861 ((2S)-N-(cyanomethyl)-4-methyl-2-(phenylformamido)p...) Show SMILES CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)NCC#N |r| Show InChI InChI=1S/C15H19N3O2/c1-11(2)10-13(15(20)17-9-8-16)18-14(19)12-6-4-3-5-7-12/h3-7,11,13H,9-10H2,1-2H3,(H,17,20)(H,18,19)/t13-/m0/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	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair
Cathepsin L (Toxoplasma gondii)	BDBM19861 ((2S)-N-(cyanomethyl)-4-methyl-2-(phenylformamido)p...) Show SMILES CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)NCC#N |r| Show InChI InChI=1S/C15H19N3O2/c1-11(2)10-13(15(20)17-9-8-16)18-14(19)12-6-4-3-5-7-12/h3-7,11,13H,9-10H2,1-2H3,(H,17,20)(H,18,19)/t13-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii cathepsin L using Z-L-R-AMC as substrate preincubated for 5 mins followed by substrate addition measured over 5 mins ...				Bioorg Med Chem Lett 28: 1972-1980 (2018) Article DOI: 10.1016/j.bmcl.2018.03.020 BindingDB Entry DOI: 10.7270/Q2445PZZ
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM19861 ((2S)-N-(cyanomethyl)-4-methyl-2-(phenylformamido)p...) Show SMILES CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)NCC#N |r| Show InChI InChI=1S/C15H19N3O2/c1-11(2)10-13(15(20)17-9-8-16)18-14(19)12-6-4-3-5-7-12/h3-7,11,13H,9-10H2,1-2H3,(H,17,20)(H,18,19)/t13-/m0/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	41	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research					Assay Description Prior to the addition of substrate, different concentrations of the inhibitor ranging from 100 uM to 0.2 nM were preincubated for 15 min with enzyme ...				J Med Chem 46: 3709-27 (2003) Article DOI: 10.1021/jm0301078 BindingDB Entry DOI: 10.7270/Q2513WH4
					More data for this Ligand-Target Pair