BDBM50429206 CHEMBL2338550

SMILES: CC[C@@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)N2[C@H](O)CC[C@H](NC(=O)\C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](COS([O-])(=O)=O)OC)C(C)C)[C@@H](C)OC1=O)=C\C)C2=O

InChI Key: InChIKey=SSXAUHKSEGDXOV-XJBJYHIUSA-M

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 = 50429206   

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))	BDBM50429206 (CHEMBL2338550) Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)N2[C@H](O)CC[C@H](NC(=O)\C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](COS([O-])(=O)=O)OC)C(C)C)[C@@H](C)OC1=O)=C\C)C2=O |r| Show InChI InChI=1S/C47H65N7O16S/c1-9-26(5)38-47(64)70-27(6)39(52-43(60)37(25(3)4)50-42(59)35(68-8)24-69-71(65,66)67)44(61)48-31(10-2)40(57)49-32-20-21-36(56)54(45(32)62)34(23-28-14-12-11-13-15-28)46(63)53(7)33(41(58)51-38)22-29-16-18-30(55)19-17-29/h10-19,25-27,32-39,55-56H,9,20-24H2,1-8H3,(H,48,61)(H,49,57)(H,50,59)(H,51,58)(H,52,60)(H,65,66,67)/p-1/b31-10-/t26-,27-,32+,33+,34+,35-,36-,37+,38+,39+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase assessed as proteolysis using N-(methoxysuccinyl)-Ala-Ala-Pro-Val-p-nitroanilide substrate incubated for 15 m...				J Med Chem 56: 1276-90 (2013) Article DOI: 10.1021/jm3017305 BindingDB Entry DOI: 10.7270/Q2CR5VQ8
					More data for this Ligand-Target Pair