BDBM50405208 CHEMBL54701

SMILES: CCCCc1c(O)c(CCCC)c(=O)oc1CC(C)=O

InChI Key: InChIKey=BKCDHNYZSGEUHQ-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 = 50405208   

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
Leukocyte elastase (Homo sapiens (Human))	BDBM50405208 (CHEMBL54701) Show SMILES CCCCc1c(O)c(CCCC)c(=O)oc1CC(C)=O Show InChI InChI=1S/C16H24O4/c1-4-6-8-12-14(10-11(3)17)20-16(19)13(15(12)18)9-7-5-2/h18H,4-10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.90E+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
Elastase (Sus scrofa (Pig))	BDBM50405208 (CHEMBL54701) Show SMILES CCCCc1c(O)c(CCCC)c(=O)oc1CC(C)=O Show InChI InChI=1S/C16H24O4/c1-4-6-8-12-14(10-11(3)17)20-16(19)13(15(12)18)9-7-5-2/h18H,4-10H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.41E+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
Chymotrypsin (Homo sapiens (Human))	BDBM50405208 (CHEMBL54701) Show SMILES CCCCc1c(O)c(CCCC)c(=O)oc1CC(C)=O Show InChI InChI=1S/C16H24O4/c1-4-6-8-12-14(10-11(3)17)20-16(19)13(15(12)18)9-7-5-2/h18H,4-10H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.13E+6	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