Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 1' and Ligand = 'BDBM50525277'   

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))	BDBM50525277 (CHEMBL4525977) Show SMILES COc1cc(ccc1Nc1ccc(N2CCCCC2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCC(CC1)N(C)C Show InChI InChI=1S/C34H44N6O3/c1-6-33(41)36-29-23-27(12-10-24(29)2)43-34-30(40-18-8-7-9-19-40)14-15-32(37-34)35-28-13-11-26(22-31(28)42-5)39-20-16-25(17-21-39)38(3)4/h6,10-15,22-23,25H,1,7-9,16-21H2,2-5H3,(H,35,37)(H,36,41)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	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))	BDBM50525277 (CHEMBL4525977) Show SMILES COc1cc(ccc1Nc1ccc(N2CCCCC2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCC(CC1)N(C)C Show InChI InChI=1S/C34H44N6O3/c1-6-33(41)36-29-23-27(12-10-24(29)2)43-34-30(40-18-8-7-9-19-40)14-15-32(37-34)35-28-13-11-26(22-31(28)42-5)39-20-16-25(17-21-39)38(3)4/h6,10-15,22-23,25H,1,7-9,16-21H2,2-5H3,(H,35,37)(H,36,41)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	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))	BDBM50525277 (CHEMBL4525977) Show SMILES COc1cc(ccc1Nc1ccc(N2CCCCC2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCC(CC1)N(C)C Show InChI InChI=1S/C34H44N6O3/c1-6-33(41)36-29-23-27(12-10-24(29)2)43-34-30(40-18-8-7-9-19-40)14-15-32(37-34)35-28-13-11-26(22-31(28)42-5)39-20-16-25(17-21-39)38(3)4/h6,10-15,22-23,25H,1,7-9,16-21H2,2-5H3,(H,35,37)(H,36,41)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	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