BDBM50405207 CHEMBL53936

SMILES: CCCCCCC(CCCC)(C=O)c1oc(=O)c(CCCC)c(O)c1CCCC

InChI Key: InChIKey=MLTDUHSWTZFCMQ-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 = 50405207   

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))	BDBM50405207 (CHEMBL53936) Show SMILES CCCCCCC(CCCC)(C=O)c1oc(=O)c(CCCC)c(O)c1CCCC Show InChI InChI=1S/C25H42O4/c1-5-9-13-14-18-25(19-26,17-12-8-4)23-20(15-10-6-2)22(27)21(16-11-7-3)24(28)29-23/h19,27H,5-18H2,1-4H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.51E+4	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))	BDBM50405207 (CHEMBL53936) Show SMILES CCCCCCC(CCCC)(C=O)c1oc(=O)c(CCCC)c(O)c1CCCC Show InChI InChI=1S/C25H42O4/c1-5-9-13-14-18-25(19-26,17-12-8-4)23-20(15-10-6-2)22(27)21(16-11-7-3)24(28)29-23/h19,27H,5-18H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.35E+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))	BDBM50405207 (CHEMBL53936) Show SMILES CCCCCCC(CCCC)(C=O)c1oc(=O)c(CCCC)c(O)c1CCCC Show InChI InChI=1S/C25H42O4/c1-5-9-13-14-18-25(19-26,17-12-8-4)23-20(15-10-6-2)22(27)21(16-11-7-3)24(28)29-23/h19,27H,5-18H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.51E+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 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