BDBM50031209 (S)-1-{(S)-2-[4-(4-Chloro-benzenesulfonylaminocarbonyl)-benzoylamino]-3-methyl-butyryl}-pyrrolidine-2-carboxylic acid [(S)-1-(benzooxazole-2-carbonyl)-2-methyl-propyl]-amide::CHEMBL127714::N1-((S)-1-((S)-2-(((S)-1-(benzo[d]oxazol-2-yl)-3-methyl-1-oxobutan-2-yl)carbamoyl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)-N4-(4-chlorophenylsulfonyl)terephthalamide

SMILES: CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1

InChI Key: InChIKey=AUBRXLUUCXRHAM-BKHJTQGXSA-N

Data: 2 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 2 hits for monomerid = 50031209   

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))	BDBM50031209 ((S)-1-{(S)-2-[4-(4-Chloro-benzenesulfonylaminocarb...) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1 Show InChI InChI=1S/C36H38ClN5O8S/c1-20(2)29(31(43)35-38-26-8-5-6-10-28(26)50-35)39-34(46)27-9-7-19-42(27)36(47)30(21(3)4)40-32(44)22-11-13-23(14-12-22)33(45)41-51(48,49)25-17-15-24(37)16-18-25/h5-6,8,10-18,20-21,27,29-30H,7,9,19H2,1-4H3,(H,39,46)(H,40,44)(H,41,45)/t27-,29-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase				Bioorg Med Chem 16: 1562-95 (2008) Article DOI: 10.1016/j.bmc.2007.11.015 BindingDB Entry DOI: 10.7270/Q21J9BNH
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50031209 ((S)-1-{(S)-2-[4-(4-Chloro-benzenesulfonylaminocarb...) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)c1nc2ccccc2o1 Show InChI InChI=1S/C36H38ClN5O8S/c1-20(2)29(31(43)35-38-26-8-5-6-10-28(26)50-35)39-34(46)27-9-7-19-42(27)36(47)30(21(3)4)40-32(44)22-11-13-23(14-12-22)33(45)41-51(48,49)25-17-15-24(37)16-18-25/h5-6,8,10-18,20-21,27,29-30H,7,9,19H2,1-4H3,(H,39,46)(H,40,44)(H,41,45)/t27-,29-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNa				J Med Chem 38: 3972-82 (1995) BindingDB Entry DOI: 10.7270/Q2T152NN
					More data for this Ligand-Target Pair