Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50095530'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neutrophil elastase (Homo sapiens (Human))	BDBM50095530 ((S)-2-(5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1...) Show SMILES CC(C)[C@H](NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1)C(=O)c1nnc(o1)C(C)(C)c1ccccc1 Show InChI InChI=1S/C28H29FN6O4/c1-16(2)22(23(37)25-33-34-27(39-25)28(3,4)18-8-6-5-7-9-18)32-21(36)15-35-24(31-14-20(30)26(35)38)17-10-12-19(29)13-11-17/h5-14,16,22H,15,30H2,1-4H3,(H,32,36)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Colorado State University Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase HNE, hydrolysis of MeO-Suc-Ala-Ala-Pro-Val-pNa				J Med Chem 43: 4927-9 (2001) BindingDB Entry DOI: 10.7270/Q25D8R3S
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50095530 ((S)-2-(5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1...) Show SMILES CC(C)[C@H](NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1)C(=O)c1nnc(o1)C(C)(C)c1ccccc1 Show InChI InChI=1S/C28H29FN6O4/c1-16(2)22(23(37)25-33-34-27(39-25)28(3,4)18-8-6-5-7-9-18)32-21(36)15-35-24(31-14-20(30)26(35)38)17-10-12-19(29)13-11-17/h5-14,16,22H,15,30H2,1-4H3,(H,32,36)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase				Bioorg Med Chem 16: 1562-95 (2008) Article DOI: 10.1016/j.bmc.2007.11.015 BindingDB Entry DOI: 10.7270/Q21J9BNH
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50095530 ((S)-2-(5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1...) Show SMILES CC(C)[C@H](NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1)C(=O)c1nnc(o1)C(C)(C)c1ccccc1 Show InChI InChI=1S/C28H29FN6O4/c1-16(2)22(23(37)25-33-34-27(39-25)28(3,4)18-8-6-5-7-9-18)32-21(36)15-35-24(31-14-20(30)26(35)38)17-10-12-19(29)13-11-17/h5-14,16,22H,15,30H2,1-4H3,(H,32,36)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cortech, Inc. Curated by ChEMBL					Assay Description Binding constant derived from inhibition of elastase catalyzed hydrolysis of synthetic substrate				J Med Chem 44: 1268-85 (2001) BindingDB Entry DOI: 10.7270/Q2B858VW
					More data for this Ligand-Target Pair