BDBM50029697 3-Chloro-2-(1,1,3-trioxo-1,3-dihydro-1lambda*6*-benzo[d]isothiazol-2-ylmethoxy)-pyrido[1,2-a]pyrimidin-4-one::CHEMBL424111

SMILES: Clc1c(OCN2C(=O)c3ccccc3S2(=O)=O)nc2ccccn2c1=O

InChI Key: InChIKey=ROKVTLBAZVSPQM-UHFFFAOYSA-N

Data: 1 KI  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 2 hits for monomerid = 50029697   

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
Neutrophil elastase (Homo sapiens (Human))	BDBM50029697 (3-Chloro-2-(1,1,3-trioxo-1,3-dihydro-1lambda*6*-be...) Show SMILES Clc1c(OCN2C(=O)c3ccccc3S2(=O)=O)nc2ccccn2c1=O Show InChI InChI=1S/C16H10ClN3O5S/c17-13-14(18-12-7-3-4-8-19(12)16(13)22)25-9-20-15(21)10-5-1-2-6-11(10)26(20,23)24/h1-8H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Potency of inhibition of human leukocyte elastase is expressed as apparent binding constant				J Med Chem 38: 4687-92 (1995) BindingDB Entry DOI: 10.7270/Q2KP816X
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50029697 (3-Chloro-2-(1,1,3-trioxo-1,3-dihydro-1lambda*6*-be...) Show SMILES Clc1c(OCN2C(=O)c3ccccc3S2(=O)=O)nc2ccccn2c1=O Show InChI InChI=1S/C16H10ClN3O5S/c17-13-14(18-12-7-3-4-8-19(12)16(13)22)25-9-20-15(21)10-5-1-2-6-11(10)26(20,23)24/h1-8H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	n/a	n/a	4.70E+3	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Potency of inhibition of human leukocyte elastase is expressed as apparent binding constant				J Med Chem 38: 4687-92 (1995) BindingDB Entry DOI: 10.7270/Q2KP816X
					More data for this Ligand-Target Pair