BDBM50405200 CHEMBL54583

SMILES: CCCCc1c(O)c(CCCC)c(=O)oc1\C(=C\C)c1ccccc1

InChI Key: InChIKey=VEDGJMXGTRBEKP-UBKPWBPPSA-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 = 50405200   

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))	BDBM50405200 (CHEMBL54583) Show SMILES CCCCc1c(O)c(CCCC)c(=O)oc1\C(=C\C)c1ccccc1 Show InChI InChI=1S/C22H28O3/c1-4-7-14-18-20(23)19(15-8-5-2)22(24)25-21(18)17(6-3)16-12-10-9-11-13-16/h6,9-13,23H,4-5,7-8,14-15H2,1-3H3/b17-6+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.41E+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))	BDBM50405200 (CHEMBL54583) Show SMILES CCCCc1c(O)c(CCCC)c(=O)oc1\C(=C\C)c1ccccc1 Show InChI InChI=1S/C22H28O3/c1-4-7-14-18-20(23)19(15-8-5-2)22(24)25-21(18)17(6-3)16-12-10-9-11-13-16/h6,9-13,23H,4-5,7-8,14-15H2,1-3H3/b17-6+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3.24E+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
Leukocyte elastase (Homo sapiens (Human))	BDBM50405200 (CHEMBL54583) Show SMILES CCCCc1c(O)c(CCCC)c(=O)oc1\C(=C\C)c1ccccc1 Show InChI InChI=1S/C22H28O3/c1-4-7-14-18-20(23)19(15-8-5-2)22(24)25-21(18)17(6-3)16-12-10-9-11-13-16/h6,9-13,23H,4-5,7-8,14-15H2,1-3H3/b17-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3.63E+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