Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 386.4 BDBM50195249

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))	BDBM50195249 (CHEMBL3970692) Show SMILES N[C@H]1CCCCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r| Show InChI InChI=1S/C24H26N4O/c25-15-18-8-12-20(13-9-18)19-10-6-17(7-11-19)14-21(16-26)28-24(29)22-4-2-1-3-5-23(22)27/h6-13,21-23H,1-5,14,27H2,(H,28,29)/t21-,22+,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED Curated by ChEMBL					Assay Description Inhibition of DPP1 in human U937 cells using Gly-Phe-AFC as substrate preincubated for 60 mins followed by substrate addition by fluorescence assay				J Med Chem 59: 9457-9472 (2016) Article DOI: 10.1021/acs.jmedchem.6b01127 BindingDB Entry DOI: 10.7270/Q2Z321K4
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Homo sapiens (Human))	BDBM50195249 (CHEMBL3970692) Show SMILES N[C@H]1CCCCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r| Show InChI InChI=1S/C24H26N4O/c25-15-18-8-12-20(13-9-18)19-10-6-17(7-11-19)14-21(16-26)28-24(29)22-4-2-1-3-5-23(22)27/h6-13,21-23H,1-5,14,27H2,(H,28,29)/t21-,22+,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP1 using Gly-Arg-AMC as substrate preincubated for 30 mins followed by substrate addition by fluorometric assay				J Med Chem 59: 9457-9472 (2016) Article DOI: 10.1021/acs.jmedchem.6b01127 BindingDB Entry DOI: 10.7270/Q2Z321K4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50195249 (CHEMBL3970692) Show SMILES N[C@H]1CCCCC[C@H]1C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N |r| Show InChI InChI=1S/C24H26N4O/c25-15-18-8-12-20(13-9-18)19-10-6-17(7-11-19)14-21(16-26)28-24(29)22-4-2-1-3-5-23(22)27/h6-13,21-23H,1-5,14,27H2,(H,28,29)/t21-,22+,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED Curated by ChEMBL					Assay Description Inhibition of human ERG				J Med Chem 59: 9457-9472 (2016) Article DOI: 10.1021/acs.jmedchem.6b01127 BindingDB Entry DOI: 10.7270/Q2Z321K4
					More data for this Ligand-Target Pair