BDBM50406256 CHEMBL144900

SMILES: NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1c1nc2ccccc2c(=O)o1

InChI Key: InChIKey=YMLQRYJRHTYLSX-ROUUACIJSA-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 = 50406256   

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))	BDBM50406256 (CHEMBL144900) Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1c1nc2ccccc2c(=O)o1 Show InChI InChI=1S/C22H22N4O4/c23-19(27)17(13-14-7-2-1-3-8-14)24-20(28)18-11-6-12-26(18)22-25-16-10-5-4-9-15(16)21(29)30-22/h1-5,7-10,17-18H,6,11-13H2,(H2,23,27)(H,24,28)/t17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	39.8	n/a	n/a	n/a	n/a	0.000537	1.45E+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