BDBM50063719 2-Isopropylamino-5-methyl-benzo[d][1,3]oxazin-4-one::CHEMBL10756

SMILES: CC(C)Nc1nc2cccc(C)c2c(=O)o1

InChI Key: InChIKey=KYGGCZMWHBADHK-UHFFFAOYSA-N

Data: 2 KI  4 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 7 hits for monomerid = 50063719   

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))	BDBM50063719 (2-Isopropylamino-5-methyl-benzo[d][1,3]oxazin-4-on...) Show SMILES CC(C)Nc1nc2cccc(C)c2c(=O)o1 Show InChI InChI=1S/C12H14N2O2/c1-7(2)13-12-14-9-6-4-5-8(3)10(9)11(15)16-12/h4-7H,1-3H3,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	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))	BDBM50063719 (2-Isopropylamino-5-methyl-benzo[d][1,3]oxazin-4-on...) Show SMILES CC(C)Nc1nc2cccc(C)c2c(=O)o1 Show InChI InChI=1S/C12H14N2O2/c1-7(2)13-12-14-9-6-4-5-8(3)10(9)11(15)16-12/h4-7H,1-3H3,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.58	n/a	n/a	n/a	n/a	0.0000178	1.18E+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
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50063719 (2-Isopropylamino-5-methyl-benzo[d][1,3]oxazin-4-on...) Show SMILES CC(C)Nc1nc2cccc(C)c2c(=O)o1 Show InChI InChI=1S/C12H14N2O2/c1-7(2)13-12-14-9-6-4-5-8(3)10(9)11(15)16-12/h4-7H,1-3H3,(H,13,14)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against human chymotrypsin				Bioorg Med Chem Lett 7: 2105-2108 (1997) Article DOI: 10.1016/S0960-894X(97)00368-5 BindingDB Entry DOI: 10.7270/Q2RR1Z6P
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50063719 (2-Isopropylamino-5-methyl-benzo[d][1,3]oxazin-4-on...) Show SMILES CC(C)Nc1nc2cccc(C)c2c(=O)o1 Show InChI InChI=1S/C12H14N2O2/c1-7(2)13-12-14-9-6-4-5-8(3)10(9)11(15)16-12/h4-7H,1-3H3,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	0.0000180	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
Complement C1r subcomponent (Homo sapiens (Human))	BDBM50063719 (2-Isopropylamino-5-methyl-benzo[d][1,3]oxazin-4-on...) Show SMILES CC(C)Nc1nc2cccc(C)c2c(=O)o1 Show InChI InChI=1S/C12H14N2O2/c1-7(2)13-12-14-9-6-4-5-8(3)10(9)11(15)16-12/h4-7H,1-3H3,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>6.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of 50% of human C1r Serine Protease by initially using CbzGly-Arg-S-Bzl as substrate				J Med Chem 41: 1060-7 (1998) Article DOI: 10.1021/jm970394d BindingDB Entry DOI: 10.7270/Q2PZ57ZT
					More data for this Ligand-Target Pair
Human rhinovirus A protease (Human rhinovirus B)	BDBM50063719 (2-Isopropylamino-5-methyl-benzo[d][1,3]oxazin-4-on...) Show SMILES CC(C)Nc1nc2cccc(C)c2c(=O)o1 Show InChI InChI=1S/C12H14N2O2/c1-7(2)13-12-14-9-6-4-5-8(3)10(9)11(15)16-12/h4-7H,1-3H3,(H,13,14)	MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against human cytomegalovirus protease variant expressing a beta galactosidase reporter gene				Bioorg Med Chem Lett 7: 2105-2108 (1997) Article DOI: 10.1016/S0960-894X(97)00368-5 BindingDB Entry DOI: 10.7270/Q2RR1Z6P
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50063719 (2-Isopropylamino-5-methyl-benzo[d][1,3]oxazin-4-on...) Show SMILES CC(C)Nc1nc2cccc(C)c2c(=O)o1 Show InChI InChI=1S/C12H14N2O2/c1-7(2)13-12-14-9-6-4-5-8(3)10(9)11(15)16-12/h4-7H,1-3H3,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against human leukocyte elastase (HLE)				Bioorg Med Chem Lett 7: 2105-2108 (1997) Article DOI: 10.1016/S0960-894X(97)00368-5 BindingDB Entry DOI: 10.7270/Q2RR1Z6P
					More data for this Ligand-Target Pair