BDBM50406208 CHEMBL146004

SMILES: CC(C)Nc1nc2cc(C)cc(C)c2c(=O)o1

InChI Key: InChIKey=GZCGRERTNIKHLF-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 = 50406208   

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))	BDBM50406208 (CHEMBL146004) Show SMILES CC(C)Nc1nc2cc(C)cc(C)c2c(=O)o1 Show InChI InChI=1S/C13H16N2O2/c1-7(2)14-13-15-10-6-8(3)5-9(4)11(10)12(16)17-13/h5-7H,1-4H3,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.31	n/a	n/a	n/a	n/a	0.0000151	2.57E+3	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