BDBM50058491 3-{4-[2-(4-{1-[4-(2-Carboxy-2-methyl-propane-1-sulfonyl)-phenoxycarbonyl]-1-methyl-ethyl}-phenyl)-2-methyl-propionyloxy]-benzenesulfonyl}-2,2-dimethyl-propionic acid::3-{4-[2-(4-{1-[4-(2-Carboxy-2-methyl-propane-1-sulfonyl)-phenoxycarbonyl]-1-methyl-ethyl}-phenyl)-2-methyl-propionyloxy]-benzenesulfonyl}-2,2-dimethyl-propionic acid(CE-1037)::CHEMBL56605

SMILES: CC(C)(CS(=O)(=O)c1ccc(OC(=O)C(C)(C)c2ccc(cc2)C(C)(C)C(=O)Oc2ccc(cc2)S(=O)(=O)CC(C)(C)C(O)=O)cc1)C(O)=O

InChI Key: InChIKey=HVXFLNJFYRWDQU-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 = 50058491   

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))	BDBM50058491 (3-{4-[2-(4-{1-[4-(2-Carboxy-2-methyl-propane-1-sul...) Show SMILES CC(C)(CS(=O)(=O)c1ccc(OC(=O)C(C)(C)c2ccc(cc2)C(C)(C)C(=O)Oc2ccc(cc2)S(=O)(=O)CC(C)(C)C(O)=O)cc1)C(O)=O Show InChI InChI=1S/C36H42O12S2/c1-33(2,29(37)38)21-49(43,44)27-17-13-25(14-18-27)47-31(41)35(5,6)23-9-11-24(12-10-23)36(7,8)32(42)48-26-15-19-28(20-16-26)50(45,46)22-34(3,4)30(39)40/h9-20H,21-22H2,1-8H3,(H,37,38)(H,39,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description Binding affinity against Elastase.				J Med Chem 43: 305-41 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q2JD4XH4
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50058491 (3-{4-[2-(4-{1-[4-(2-Carboxy-2-methyl-propane-1-sul...) Show SMILES CC(C)(CS(=O)(=O)c1ccc(OC(=O)C(C)(C)c2ccc(cc2)C(C)(C)C(=O)Oc2ccc(cc2)S(=O)(=O)CC(C)(C)C(O)=O)cc1)C(O)=O Show InChI InChI=1S/C36H42O12S2/c1-33(2,29(37)38)21-49(43,44)27-17-13-25(14-18-27)47-31(41)35(5,6)23-9-11-24(12-10-23)36(7,8)32(42)48-26-15-19-28(20-16-26)50(45,46)22-34(3,4)30(39)40/h9-20H,21-22H2,1-8H3,(H,37,38)(H,39,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Recherche Servier Curated by ChEMBL					Assay Description Inhibitory concentration against Human Leukocyte Elastase from human sputum				J Med Chem 40: 1906-18 (1997) Article DOI: 10.1021/jm960772z BindingDB Entry DOI: 10.7270/Q2MS3RW1
					More data for this Ligand-Target Pair