BDBM50023523 2,2-Dimethyl-propionic acid 2-[2,4-bis-(2,2-dimethyl-propionyloxy)-benzoyl]-5-(2,2-dimethyl-propionyloxy)-phenyl ester::CHEMBL267081

SMILES: CC(C)(C)C(=O)Oc1ccc(C(=O)c2ccc(OC(=O)C(C)(C)C)cc2OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1

InChI Key: InChIKey=DETJDJKUOCMVDN-UHFFFAOYSA-N

Data: 1 KI  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 2 hits for monomerid = 50023523   

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))	BDBM50023523 (2,2-Dimethyl-propionic acid 2-[2,4-bis-(2,2-dimeth...) Show SMILES CC(C)(C)C(=O)Oc1ccc(C(=O)c2ccc(OC(=O)C(C)(C)C)cc2OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1 Show InChI InChI=1S/C33H42O9/c1-30(2,3)26(35)39-19-13-15-21(23(17-19)41-28(37)32(7,8)9)25(34)22-16-14-20(40-27(36)31(4,5)6)18-24(22)42-29(38)33(10,11)12/h13-18H,1-12H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description Binding affinity towards human leukocyte elastase at 10e-8 M				J Med Chem 31: 1052-61 (1988) BindingDB Entry DOI: 10.7270/Q2PC31DJ
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50023523 (2,2-Dimethyl-propionic acid 2-[2,4-bis-(2,2-dimeth...) Show SMILES CC(C)(C)C(=O)Oc1ccc(C(=O)c2ccc(OC(=O)C(C)(C)C)cc2OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1 Show InChI InChI=1S/C33H42O9/c1-30(2,3)26(35)39-19-13-15-21(23(17-19)41-28(37)32(7,8)9)25(34)22-16-14-20(40-27(36)31(4,5)6)18-24(22)42-29(38)33(10,11)12/h13-18H,1-12H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Searle Research and Development Curated by ChEMBL					Assay Description Binding affinity towards human leukocyte elastase at 10e-7 M				J Med Chem 31: 1052-61 (1988) BindingDB Entry DOI: 10.7270/Q2PC31DJ
					More data for this Ligand-Target Pair