BDBM50525297 CHEMBL4567974

SMILES: COc1cc(ccc1Nc1ccc(N2CCCC2)c(Oc2ccc(c(NC(=O)C=C)c2)C(F)(F)F)n1)N1CCN(C)CC1

InChI Key: InChIKey=DAFUUYWXBRQLNF-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50525297   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Dipeptidyl peptidase I (Homo sapiens (Human))	BDBM50525297 (CHEMBL4567974) Show SMILES COc1cc(ccc1Nc1ccc(N2CCCC2)c(Oc2ccc(c(NC(=O)C=C)c2)C(F)(F)F)n1)N1CCN(C)CC1 Show InChI InChI=1S/C31H35F3N6O3/c1-4-29(41)36-25-20-22(8-9-23(25)31(32,33)34)43-30-26(40-13-5-6-14-40)11-12-28(37-30)35-24-10-7-21(19-27(24)42-3)39-17-15-38(2)16-18-39/h4,7-12,19-20H,1,5-6,13-18H2,2-3H3,(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	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 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
					More data for this Ligand-Target Pair
Dipeptidyl peptidase I (Homo sapiens (Human))	BDBM50525297 (CHEMBL4567974) Show SMILES COc1cc(ccc1Nc1ccc(N2CCCC2)c(Oc2ccc(c(NC(=O)C=C)c2)C(F)(F)F)n1)N1CCN(C)CC1 Show InChI InChI=1S/C31H35F3N6O3/c1-4-29(41)36-25-20-22(8-9-23(25)31(32,33)34)43-30-26(40-13-5-6-14-40)11-12-28(37-30)35-24-10-7-21(19-27(24)42-3)39-17-15-38(2)16-18-39/h4,7-12,19-20H,1,5-6,13-18H2,2-3H3,(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	6.70	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
					More data for this Ligand-Target Pair
Dipeptidyl peptidase I (Homo sapiens (Human))	BDBM50525297 (CHEMBL4567974) Show SMILES COc1cc(ccc1Nc1ccc(N2CCCC2)c(Oc2ccc(c(NC(=O)C=C)c2)C(F)(F)F)n1)N1CCN(C)CC1 Show InChI InChI=1S/C31H35F3N6O3/c1-4-29(41)36-25-20-22(8-9-23(25)31(32,33)34)43-30-26(40-13-5-6-14-40)11-12-28(37-30)35-24-10-7-21(19-27(24)42-3)39-17-15-38(2)16-18-39/h4,7-12,19-20H,1,5-6,13-18H2,2-3H3,(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	4	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
					More data for this Ligand-Target Pair