BDBM50406210 CHEMBL443745

SMILES: CCC(C)CNc1nc2cccc(C)c2c(=O)o1

InChI Key: InChIKey=HKYMJMGAGKAVQD-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 = 50406210   

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))	BDBM50406210 (CHEMBL443745) Show SMILES CCC(C)CNc1nc2cccc(C)c2c(=O)o1 Show InChI InChI=1S/C14H18N2O2/c1-4-9(2)8-15-14-16-11-7-5-6-10(3)12(11)13(17)18-14/h5-7,9H,4,8H2,1-3H3,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	631	n/a	n/a	n/a	n/a	0.0000741	112	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