BDBM50291761 2-Butylamino-5-methyl-benzo[d][1,3]oxazin-4-one::CHEMBL143333

SMILES: CCCCNc1nc2cccc(C)c2c(=O)o1

InChI Key: InChIKey=AHRCCNLRAVOCCI-UHFFFAOYSA-N

Data: 2 KI  2 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 3 hits for monomerid = 50291761   

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))	BDBM50291761 (2-Butylamino-5-methyl-benzo[d][1,3]oxazin-4-one | ...) Show SMILES CCCCNc1nc2cccc(C)c2c(=O)o1 Show InChI InChI=1S/C13H16N2O2/c1-3-4-8-14-13-15-10-7-5-6-9(2)11(10)12(16)17-13/h5-7H,3-4,8H2,1-2H3,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Rate of deacylation by human leukocyte elastase				J Med Chem 30: 589-591 (1987) Article DOI: 10.1021/jm00387a001 BindingDB Entry DOI: 10.7270/Q2GQ6XRH
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50291761 (2-Butylamino-5-methyl-benzo[d][1,3]oxazin-4-one | ...) Show SMILES CCCCNc1nc2cccc(C)c2c(=O)o1 Show InChI InChI=1S/C13H16N2O2/c1-3-4-8-14-13-15-10-7-5-6-9(2)11(10)12(16)17-13/h5-7H,3-4,8H2,1-2H3,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	25.1	n/a	n/a	n/a	n/a	0.000174	7.59E+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
Leukocyte elastase (Homo sapiens (Human))	BDBM50291761 (2-Butylamino-5-methyl-benzo[d][1,3]oxazin-4-one | ...) Show SMILES CCCCNc1nc2cccc(C)c2c(=O)o1 Show InChI InChI=1S/C13H16N2O2/c1-3-4-8-14-13-15-10-7-5-6-9(2)11(10)12(16)17-13/h5-7H,3-4,8H2,1-2H3,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	0.000170	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Rate of deacylation by human leukocyte elastase				J Med Chem 30: 589-591 (1987) Article DOI: 10.1021/jm00387a001 BindingDB Entry DOI: 10.7270/Q2GQ6XRH
					More data for this Ligand-Target Pair