BDBM50405194 CHEMBL50396

SMILES: CCCCc1c(CC(C)=O)oc(=O)c(CCCC)c1OC(C)=O

InChI Key: InChIKey=GEYVFPSDEOHGFI-UHFFFAOYSA-N

Data: 3 KI

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 = 50405194   

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
Elastase (Sus scrofa (Pig))	BDBM50405194 (CHEMBL50396) Show SMILES CCCCc1c(CC(C)=O)oc(=O)c(CCCC)c1OC(C)=O Show InChI InChI=1S/C18H26O5/c1-5-7-9-14-16(11-12(3)19)23-18(21)15(10-8-6-2)17(14)22-13(4)20/h5-11H2,1-4H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.51E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against porcine pancreatic elastase (PP elastase) expressed as inhibitory constant				J Med Chem 28: 1828-32 (1986) BindingDB Entry DOI: 10.7270/Q28S4R4F
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50405194 (CHEMBL50396) Show SMILES CCCCc1c(CC(C)=O)oc(=O)c(CCCC)c1OC(C)=O Show InChI InChI=1S/C18H26O5/c1-5-7-9-14-16(11-12(3)19)23-18(21)15(10-8-6-2)17(14)22-13(4)20/h5-11H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.88E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human leukocyte elastase (HL elastase) expressed as inhibitory constant				J Med Chem 28: 1828-32 (1986) BindingDB Entry DOI: 10.7270/Q28S4R4F
					More data for this Ligand-Target Pair
Chymotrypsin (Homo sapiens (Human))	BDBM50405194 (CHEMBL50396) Show SMILES CCCCc1c(CC(C)=O)oc(=O)c(CCCC)c1OC(C)=O Show InChI InChI=1S/C18H26O5/c1-5-7-9-14-16(11-12(3)19)23-18(21)15(10-8-6-2)17(14)22-13(4)20/h5-11H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.61E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against bovine Chymotrypsinogen expressed as inhibitory constant				J Med Chem 28: 1828-32 (1986) BindingDB Entry DOI: 10.7270/Q28S4R4F
					More data for this Ligand-Target Pair