Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 449.5 BDBM150417

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

Found 5 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
Dipeptidyl peptidase 1 (Homo sapiens (Human))	BDBM150417 (US10238633, Example 91 | US8987249, 91 | US9713606...) Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(C[C@H](NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)c(F)c1 |r| Show InChI InChI=1S/C21H28FN5O3S/c1-31(29,30)27-8-6-26(7-9-27)18-5-3-14(19(22)12-18)10-17(13-23)25-21(28)20-15-2-4-16(11-15)24-20/h3,5,12,15-17,20,24H,2,4,6-11H2,1H3,(H,25,28)/t15-,16+,17-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...				US Patent US8987249 (2015) BindingDB Entry DOI: 10.7270/Q2KP80WG
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Homo sapiens (Human))	BDBM150417 (US10238633, Example 91 | US8987249, 91 | US9713606...) Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(C[C@H](NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)c(F)c1 |r| Show InChI InChI=1S/C21H28FN5O3S/c1-31(29,30)27-8-6-26(7-9-27)18-5-3-14(19(22)12-18)10-17(13-23)25-21(28)20-15-2-4-16(11-15)24-20/h3,5,12,15-17,20,24H,2,4,6-11H2,1H3,(H,25,28)/t15-,16+,17-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	6.0	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Microtiterplates (Optiplate-384 F) were purchased from PerkinElmer (Prod. No. 6007270). The substrate Gly-Arg-AMC was from Biotrend (Prod....				US Patent US9713606 (2017) BindingDB Entry DOI: 10.7270/Q21G0P8M
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Homo sapiens (Human))	BDBM150417 (US10238633, Example 91 | US8987249, 91 | US9713606...) Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(C[C@H](NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)c(F)c1 |r| Show InChI InChI=1S/C21H28FN5O3S/c1-31(29,30)27-8-6-26(7-9-27)18-5-3-14(19(22)12-18)10-17(13-23)25-21(28)20-15-2-4-16(11-15)24-20/h3,5,12,15-17,20,24H,2,4,6-11H2,1H3,(H,25,28)/t15-,16+,17-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 μg/ml, respectively), and then activated by mixing in a 1:2 ratio with ...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q22R3TZF
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM150417 (US10238633, Example 91 | US8987249, 91 | US9713606...) Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(C[C@H](NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)c(F)c1 |r| Show InChI InChI=1S/C21H28FN5O3S/c1-31(29,30)27-8-6-26(7-9-27)18-5-3-14(19(22)12-18)10-17(13-23)25-21(28)20-15-2-4-16(11-15)24-20/h3,5,12,15-17,20,24H,2,4,6-11H2,1H3,(H,25,28)/t15-,16+,17-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Pharmaceuticals Corporation					Assay Description To activate the proenzyme, 5 μl procathepsin K were mixed with 1 ul activation buffer, and incubated at room temperature for 30 min.5 μL te...				J Med Chem 50: 984-1000 (2007) BindingDB Entry DOI: 10.7270/Q22R3TZF
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM150417 (US10238633, Example 91 | US8987249, 91 | US9713606...) Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(C[C@H](NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)c(F)c1 |r| Show InChI InChI=1S/C21H28FN5O3S/c1-31(29,30)27-8-6-26(7-9-27)18-5-3-14(19(22)12-18)10-17(13-23)25-21(28)20-15-2-4-16(11-15)24-20/h3,5,12,15-17,20,24H,2,4,6-11H2,1H3,(H,25,28)/t15-,16+,17-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	3.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description Materials: Microtiterplates (Optiplate-384 F were purchased from PerkinElmer (Prod. No. 6007270). The substrate Z-Gly-Pro-Arg-AMC was from Biomol (Pr...				US Patent US9713606 (2017) BindingDB Entry DOI: 10.7270/Q21G0P8M
					More data for this Ligand-Target Pair