BDBM50035948 2-[3-(4-Acetylamino-benzenesulfonylamino)-2-oxo-6-phenyl-2H-pyridin-1-yl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide::CHEMBL307315

SMILES: CC(C)C(NC(=O)Cn1c(ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1=O)-c1ccccc1)C(=O)C(F)(F)F

InChI Key: InChIKey=JALUSMFQYPVKFS-UHFFFAOYSA-N

Data: 2 KI

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 = 50035948   

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))	BDBM50035948 (2-[3-(4-Acetylamino-benzenesulfonylamino)-2-oxo-6-...) Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1=O)-c1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C27H27F3N4O6S/c1-16(2)24(25(37)27(28,29)30)32-23(36)15-34-22(18-7-5-4-6-8-18)14-13-21(26(34)38)33-41(39,40)20-11-9-19(10-12-20)31-17(3)35/h4-14,16,24,33H,15H2,1-3H3,(H,31,35)(H,32,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Group Curated by ChEMBL					Assay Description Binding affinity against human leukocyte elastase (HLE) enzyme				J Med Chem 37: 3313-26 (1994) BindingDB Entry DOI: 10.7270/Q2NK3D3T
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50035948 (2-[3-(4-Acetylamino-benzenesulfonylamino)-2-oxo-6-...) Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1=O)-c1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C27H27F3N4O6S/c1-16(2)24(25(37)27(28,29)30)32-23(36)15-34-22(18-7-5-4-6-8-18)14-13-21(26(34)38)33-41(39,40)20-11-9-19(10-12-20)31-17(3)35/h4-14,16,24,33H,15H2,1-3H3,(H,31,35)(H,32,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition constant (Ki) against human leukocyte elastase (HLE-catalyzed hydrolysis of MeO-Suc-Ala-Ala-Pro-Ala-pNA)				J Med Chem 38: 212-5 (1995) BindingDB Entry DOI: 10.7270/Q2KW5F3G
					More data for this Ligand-Target Pair