BDBM50406215 CHEMBL145718

SMILES: CC(C)C[C@H](NC(=O)[C@@H]1CCCN1c1nc2ccccc2c(=O)o1)C(=O)NCC(N)=O

InChI Key: InChIKey=DZIGFPMIBBAUTG-HOTGVXAUSA-N

Data: 1 KI  1 K_off  1 K_on

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 = 50406215   

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))	BDBM50406215 (CHEMBL145718) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1c1nc2ccccc2c(=O)o1)C(=O)NCC(N)=O Show InChI InChI=1S/C21H27N5O5/c1-12(2)10-15(18(28)23-11-17(22)27)24-19(29)16-8-5-9-26(16)21-25-14-7-4-3-6-13(14)20(30)31-21/h3-4,6-7,12,15-16H,5,8-11H2,1-2H3,(H2,22,27)(H,23,28)(H,24,29)/t15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19.9	n/a	n/a	n/a	n/a	0.000229	1.10E+4	n/a	n/a
Syntex Research Curated by ChEMBL					Assay Description Component deacylation rate constant for interaction with human leukocyte elastase				J Med Chem 33: 464-79 (1990) Checked by Author BindingDB Entry DOI: 10.7270/Q2PR7X6X
					More data for this Ligand-Target Pair