Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 1' and Ligand = 'BDBM50525274'   

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))	BDBM50525274 (CHEMBL4465111) Show SMILES COc1cc(ccc1Nc1ccc(N2CCCC2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C31H38N6O3/c1-5-30(38)33-26-21-24(10-8-22(26)2)40-31-27(37-14-6-7-15-37)12-13-29(34-31)32-25-11-9-23(20-28(25)39-4)36-18-16-35(3)17-19-36/h5,8-13,20-21H,1,6-7,14-19H2,2-4H3,(H,32,34)(H,33,38)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Biological Sciences (NIBS) Curated by ChEMBL					Assay Description Inhibition of cathepsin C in human THP1 cells using H-Gly-Phe-AFC as substrate preincubated for 4 hrs followed by substrate addition and measured aft...				J Med Chem 62: 5901-5919 (2019) Article DOI: 10.1021/acs.jmedchem.9b00631 BindingDB Entry DOI: 10.7270/Q2MG7SX9
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Homo sapiens (Human))	BDBM50525274 (CHEMBL4465111) Show SMILES COc1cc(ccc1Nc1ccc(N2CCCC2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C31H38N6O3/c1-5-30(38)33-26-21-24(10-8-22(26)2)40-31-27(37-14-6-7-15-37)12-13-29(34-31)32-25-11-9-23(20-28(25)39-4)36-18-16-35(3)17-19-36/h5,8-13,20-21H,1,6-7,14-19H2,2-4H3,(H,32,34)(H,33,38)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Biological Sciences (NIBS) Curated by ChEMBL					Assay Description Inhibition of cathepsin C in human U937 cells using H-Gly-Phe-AFC as substrate preincubated for 4 hrs followed by substrate addition and measured aft...				J Med Chem 62: 5901-5919 (2019) Article DOI: 10.1021/acs.jmedchem.9b00631 BindingDB Entry DOI: 10.7270/Q2MG7SX9
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 1 (Homo sapiens (Human))	BDBM50525274 (CHEMBL4465111) Show SMILES COc1cc(ccc1Nc1ccc(N2CCCC2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCN(C)CC1 Show InChI InChI=1S/C31H38N6O3/c1-5-30(38)33-26-21-24(10-8-22(26)2)40-31-27(37-14-6-7-15-37)12-13-29(34-31)32-25-11-9-23(20-28(25)39-4)36-18-16-35(3)17-19-36/h5,8-13,20-21H,1,6-7,14-19H2,2-4H3,(H,32,34)(H,33,38)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Biological Sciences (NIBS) Curated by ChEMBL					Assay Description Inhibition of CatL-activated recombinant human C-terminal His10-tagged cathepsin C (25 to 463 residues) expressed in mouse myeloma cells using Gly-Ph...				J Med Chem 62: 5901-5919 (2019) Article DOI: 10.1021/acs.jmedchem.9b00631 BindingDB Entry DOI: 10.7270/Q2MG7SX9
					More data for this Ligand-Target Pair