BDBM50375784 CHEMBL408621

SMILES: CC1(C)C2CC[C@]1(C)C(C2)OC(=O)\C=C\c1cc(O)c(O)c(O)c1

InChI Key: InChIKey=IMMWANKYSKQCQN-UOAQAXRFSA-N

Data: 1 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 1 hit for monomerid = 50375784   

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))	BDBM50375784 (CHEMBL408621) Show SMILES CC1(C)C2CC[C@]1(C)C(C2)OC(=O)\C=C\c1cc(O)c(O)c(O)c1 |w:8.11,3.10,TEB:10:8:1:4.5| Show InChI InChI=1S/C19H24O5/c1-18(2)12-6-7-19(18,3)15(10-12)24-16(22)5-4-11-8-13(20)17(23)14(21)9-11/h4-5,8-9,12,15,20-21,23H,6-7,10H2,1-3H3/b5-4+/t12?,15?,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-Universit£t Freiburg Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase				Bioorg Med Chem 16: 2385-90 (2008) Article DOI: 10.1016/j.bmc.2007.11.070 BindingDB Entry DOI: 10.7270/Q2CC11K7
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