BDBM50061026 (S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-butyryl]-pyrrolidine-2-carboxylic acid {(R)-3,3-difluoro-1-isopropyl-2-oxo-3-[(pyridin-2-ylmethyl)-carbamoyl]-propyl}-amide::CHEMBL326695

SMILES: COc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(C)C)C(=O)C(F)(F)C(=O)NCc1ccccn1

InChI Key: InChIKey=VGABYRSQCBAGSJ-GVAUOCQISA-N

Data: 1 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 1 hit for monomerid = 50061026   

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))	BDBM50061026 ((S)-1-[(S)-2-(4-Methoxy-benzoylamino)-3-methyl-but...) Show SMILES COc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(C)C)C(=O)C(F)(F)C(=O)NCc1ccccn1 Show InChI InChI=1S/C31H39F2N5O6/c1-18(2)24(26(39)31(32,33)30(43)35-17-21-9-6-7-15-34-21)36-28(41)23-10-8-16-38(23)29(42)25(19(3)4)37-27(40)20-11-13-22(44-5)14-12-20/h6-7,9,11-15,18-19,23-25H,8,10,16-17H2,1-5H3,(H,35,43)(H,36,41)(H,37,40)/t23-,24+,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity for human leukocyte elastase				J Med Chem 40: 3173-81 (1997) Article DOI: 10.1021/jm970250z BindingDB Entry DOI: 10.7270/Q2GT5M85
					More data for this Ligand-Target Pair