BDBM50406212 CHEMBL357238

SMILES: COC(=O)[C@H](CC(C)C)Nc1nc2cc(C)cc(C)c2c(=O)o1

InChI Key: InChIKey=XFHLIYVRVOXKPD-ZDUSSCGKSA-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 = 50406212   

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))	BDBM50406212 (CHEMBL357238) Show SMILES COC(=O)[C@H](CC(C)C)Nc1nc2cc(C)cc(C)c2c(=O)o1 Show InChI InChI=1S/C17H22N2O4/c1-9(2)6-13(15(20)22-5)19-17-18-12-8-10(3)7-11(4)14(12)16(21)23-17/h7-9,13H,6H2,1-5H3,(H,18,19)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.26E+3	n/a	n/a	n/a	n/a	0.0000200	15.8	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