Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 411.5 BDBM150679

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
Dipeptidyl peptidase 1 (Homo sapiens (Human))	BDBM150679 (US10238633, Example 353 | US8987249, 353 | US97136...) Show SMILES CN1CC2CCN(C2C1)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/C23H30FN5O/c1-28-12-16-6-7-29(21(16)13-28)19-5-3-14(20(24)10-19)8-18(11-25)27-23(30)22-15-2-4-17(9-15)26-22/h3,5,10,15-18,21-22,26H,2,4,6-9,12-13H2,1H3,(H,27,30)/t15-,16?,17+,18-,21?,22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.5	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))	BDBM150679 (US10238633, Example 353 | US8987249, 353 | US97136...) Show SMILES CN1CC2CCN(C2C1)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/C23H30FN5O/c1-28-12-16-6-7-29(21(16)13-28)19-5-3-14(20(24)10-19)8-18(11-25)27-23(30)22-15-2-4-17(9-15)26-22/h3,5,10,15-18,21-22,26H,2,4,6-9,12-13H2,1H3,(H,27,30)/t15-,16?,17+,18-,21?,22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.5	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
Dipeptidyl peptidase 1 (Homo sapiens (Human))	BDBM150679 (US10238633, Example 353 | US8987249, 353 | US97136...) Show SMILES CN1CC2CCN(C2C1)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/C23H30FN5O/c1-28-12-16-6-7-29(21(16)13-28)19-5-3-14(20(24)10-19)8-18(11-25)27-23(30)22-15-2-4-17(9-15)26-22/h3,5,10,15-18,21-22,26H,2,4,6-9,12-13H2,1H3,(H,27,30)/t15-,16?,17+,18-,21?,22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.5	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