BDBM50406239 CHEMBL357464

SMILES: CCCc1cccc2nc(OCC)oc(=O)c12

InChI Key: InChIKey=LMJPHMNRIQNQKP-UHFFFAOYSA-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 = 50406239   

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))	BDBM50406239 (CHEMBL357464) Show SMILES CCCc1cccc2nc(OCC)oc(=O)c12 Show InChI InChI=1S/C13H15NO3/c1-3-6-9-7-5-8-10-11(9)12(15)17-13(14-10)16-4-2/h5,7-8H,3-4,6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.251	n/a	n/a	n/a	n/a	0.0000708	3.09E+5	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