Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 307.3 BDBM19874

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))	BDBM19874 (N-(cyanomethyl)-4-methyl-2-[3-(pyridin-3-yl)phenyl...) Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1cccnc1 Show InChI InChI=1S/C19H21N3O/c1-14(2)11-18(19(23)22-10-8-20)16-6-3-5-15(12-16)17-7-4-9-21-13-17/h3-7,9,12-14,18H,10-11H2,1-2H3,(H,22,23)	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	488	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))	BDBM19874 (N-(cyanomethyl)-4-methyl-2-[3-(pyridin-3-yl)phenyl...) Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1cccnc1 Show InChI InChI=1S/C19H21N3O/c1-14(2)11-18(19(23)22-10-8-20)16-6-3-5-15(12-16)17-7-4-9-21-13-17/h3-7,9,12-14,18H,10-11H2,1-2H3,(H,22,23)	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	5.58E+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 S (Homo sapiens (Human))	BDBM19874 (N-(cyanomethyl)-4-methyl-2-[3-(pyridin-3-yl)phenyl...) Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1cccnc1 Show InChI InChI=1S/C19H21N3O/c1-14(2)11-18(19(23)22-10-8-20)16-6-3-5-15(12-16)17-7-4-9-21-13-17/h3-7,9,12-14,18H,10-11H2,1-2H3,(H,22,23)	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	>1.00E+4	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 B (Homo sapiens (Human))	BDBM19874 (N-(cyanomethyl)-4-methyl-2-[3-(pyridin-3-yl)phenyl...) Show SMILES CC(C)CC(C(=O)NCC#N)c1cccc(c1)-c1cccnc1 Show InChI InChI=1S/C19H21N3O/c1-14(2)11-18(19(23)22-10-8-20)16-6-3-5-15(12-16)17-7-4-9-21-13-17/h3-7,9,12-14,18H,10-11H2,1-2H3,(H,22,23)	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	>1.00E+4	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