BDBM50288101 2-Butylamino-benzo[d][1,3]oxazin-4-one::CHEMBL79973

SMILES: CCCCNc1nc2ccccc2c(=O)o1

InChI Key: InChIKey=KXPTVFDCJCOCOZ-UHFFFAOYSA-N

Data: 2 KI  1 IC50  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 4 hits for monomerid = 50288101   

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))	BDBM50288101 (2-Butylamino-benzo[d][1,3]oxazin-4-one | CHEMBL799...) Show SMILES CCCCNc1nc2ccccc2c(=O)o1 Show InChI InChI=1S/C12H14N2O2/c1-2-3-8-13-12-14-10-7-5-4-6-9(10)11(15)16-12/h4-7H,2-3,8H2,1H3,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	79.4	n/a	n/a	n/a	n/a	0.00549	6.61E+4	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))	BDBM50288101 (2-Butylamino-benzo[d][1,3]oxazin-4-one | CHEMBL799...) Show SMILES CCCCNc1nc2ccccc2c(=O)o1 Show InChI InChI=1S/C12H14N2O2/c1-2-3-8-13-12-14-10-7-5-4-6-9(10)11(15)16-12/h4-7H,2-3,8H2,1H3,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	84	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))	BDBM50288101 (2-Butylamino-benzo[d][1,3]oxazin-4-one | CHEMBL799...) Show SMILES CCCCNc1nc2ccccc2c(=O)o1 Show InChI InChI=1S/C12H14N2O2/c1-2-3-8-13-12-14-10-7-5-4-6-9(10)11(15)16-12/h4-7H,2-3,8H2,1H3,(H,13,14)	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	0.00550	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
Human herpesvirus 1 protease (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)	BDBM50288101 (2-Butylamino-benzo[d][1,3]oxazin-4-one | CHEMBL799...) Show SMILES CCCCNc1nc2ccccc2c(=O)o1 Show InChI InChI=1S/C12H14N2O2/c1-2-3-8-13-12-14-10-7-5-4-6-9(10)11(15)16-12/h4-7H,2-3,8H2,1H3,(H,13,14)	MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against herpes simplex type 1 protease (HSV-1 pr).				Bioorg Med Chem Lett 6: 2463-2466 (1996) Article DOI: 10.1016/0960-894X(96)00455-6 BindingDB Entry DOI: 10.7270/Q2F47P4R
					More data for this Ligand-Target Pair