Compile Data Set for Download or QSAR

Found 788 hits with Last Name = 'rafferty' and Initial = 'p'   

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))	BDBM50288098 (2-Ethoxy-5-ethyl-benzo[d][1,3]oxazin-4-one | CHEMB...) Show SMILES CCOc1nc2cccc(CC)c2c(=O)o1 Show InChI InChI=1S/C12H13NO3/c1-3-8-6-5-7-9-10(8)11(14)16-12(13-9)15-4-2/h5-7H,3-4H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0430	n/a	n/a	n/a	n/a	0.0000145	3.39E+5	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
Neutrophil elastase (Homo sapiens (Human))	BDBM50406288 (CHEMBL344066) Show SMILES CCOc1nc2cccc(CBr)c2c(=O)o1 Show InChI InChI=1S/C11H10BrNO3/c1-2-15-11-13-8-5-3-4-7(6-12)9(8)10(14)16-11/h3-5H,2,6H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0680	n/a	n/a	n/a	n/a	0.0000759	1.12E+6	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
Neutrophil elastase (Homo sapiens (Human))	BDBM50406293 (CHEMBL356120) Show SMILES CCOc1nc2cccc(C(C)C)c2c(=O)o1 Show InChI InChI=1S/C13H15NO3/c1-4-16-13-14-10-7-5-6-9(8(2)3)11(10)12(15)17-13/h5-8H,4H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0710	n/a	n/a	n/a	n/a	0.0000550	7.76E+5	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
Neutrophil elastase (Homo sapiens (Human))	BDBM50406217 (CHEMBL145002) Show SMILES CCOc1nc2c(C)ccc(C)c2c(=O)o1 Show InChI InChI=1S/C12H13NO3/c1-4-15-12-13-10-8(3)6-5-7(2)9(10)11(14)16-12/h5-6H,4H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.100	n/a	n/a	n/a	n/a	0.00000617	6.46E+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
Neutrophil elastase (Homo sapiens (Human))	BDBM50288087 (2-Ethoxy-5-methyl-benzo[d][1,3]oxazin-4-one | CHEM...) Show SMILES CCOc1nc2cccc(C)c2c(=O)o1 Show InChI InChI=1S/C11H11NO3/c1-3-14-11-12-8-6-4-5-7(2)9(8)10(13)15-11/h4-6H,3H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.126	n/a	n/a	n/a	n/a	0.0000117	1.02E+5	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
Neutrophil elastase (Homo sapiens (Human))	BDBM50406234 (CHEMBL145774) Show SMILES CCOc1nc2cccc(\C=C\C)c2c(=O)o1 Show InChI InChI=1S/C13H13NO3/c1-3-6-9-7-5-8-10-11(9)12(15)17-13(14-10)16-4-2/h3,5-8H,4H2,1-2H3/b6-3+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.200	n/a	n/a	n/a	n/a	0.0000661	3.47E+5	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
Neutrophil elastase (Homo sapiens (Human))	BDBM50406239 (CHEMBL357464) Show SMILES CCCc1cccc2nc(OCC)oc(=O)c12 Show InChI InChI=1S/C13H15NO3/c1-3-6-9-7-5-8-10-11(9)12(15)17-13(14-10)16-4-2/h5,7-8H,3-4,6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.251	n/a	n/a	n/a	n/a	0.0000708	3.09E+5	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
Neutrophil elastase (Homo sapiens (Human))	BDBM50406240 (CHEMBL347760) Show SMILES CCOc1nc2cc(OC)cc(C)c2c(=O)o1 Show InChI InChI=1S/C12H13NO4/c1-4-16-12-13-9-6-8(15-3)5-7(2)10(9)11(14)17-12/h5-6H,4H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.398	n/a	n/a	n/a	n/a	0.0000182	4.57E+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
Neutrophil elastase (Homo sapiens (Human))	BDBM50406245 (CHEMBL145592) Show SMILES CCOc1nc2cccc(C(Br)Br)c2c(=O)o1 Show InChI InChI=1S/C11H9Br2NO3/c1-2-16-11-14-7-5-3-4-6(9(12)13)8(7)10(15)17-11/h3-5,9H,2H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.501	n/a	n/a	n/a	n/a	0.00468	1.00E+7	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
Neutrophil elastase (Homo sapiens (Human))	BDBM50406185 (CHEMBL144906) Show SMILES CCSc1nc2cccc(C)c2c(=O)o1 Show InChI InChI=1S/C11H11NO2S/c1-3-15-11-12-8-6-4-5-7(2)9(8)10(13)14-11/h4-6H,3H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	0.00141	1.51E+6	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
Neutrophil elastase (Homo sapiens (Human))	BDBM50291760 (5-Ethyl-2-isopropylamino-benzo[d][1,3]oxazin-4-one...) Show SMILES CCc1cccc2nc(NC(C)C)oc(=O)c12 Show InChI InChI=1S/C13H16N2O2/c1-4-9-6-5-7-10-11(9)12(16)17-13(15-10)14-8(2)3/h5-8H,4H2,1-3H3,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1	n/a	n/a	n/a	n/a	0.0000661	7.08E+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
Neutrophil elastase (Homo sapiens (Human))	BDBM50406260 (CHEMBL143793) Show SMILES CSc1nc2cccc(C)c2c(=O)o1 Show InChI InChI=1S/C10H9NO2S/c1-6-4-3-5-7-8(6)9(12)13-10(11-7)14-2/h3-5H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.41	n/a	n/a	n/a	n/a	0.000355	2.51E+5	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
Neutrophil 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
Neutrophil elastase (Homo sapiens (Human))	BDBM50406221 (CHEMBL145729) Show SMILES CC(C)COc1nc2cccc(C)c2c(=O)o1 Show InChI InChI=1S/C13H15NO3/c1-8(2)7-16-13-14-10-6-4-5-9(3)11(10)12(15)17-13/h4-6,8H,7H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.58	n/a	n/a	n/a	n/a	0.0000112	7.08E+3	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
Neutrophil elastase (Homo sapiens (Human))	BDBM50406198 (CHEMBL145035) Show SMILES CC(C)COC(=O)N(C)c1nc2ccccc2c(=O)o1 Show InChI InChI=1S/C14H16N2O4/c1-9(2)8-19-14(18)16(3)13-15-11-7-5-4-6-10(11)12(17)20-13/h4-7,9H,8H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2.51	n/a	n/a	n/a	n/a	0.000813	3.02E+5	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
Neutrophil elastase (Homo sapiens (Human))	BDBM50291763 (2-Butylamino-5-ethyl-benzo[d][1,3]oxazin-4-one | C...) Show SMILES CCCCNc1nc2cccc(CC)c2c(=O)o1 Show InChI InChI=1S/C14H18N2O2/c1-3-5-9-15-14-16-11-8-6-7-10(4-2)12(11)13(17)18-14/h6-8H,3-5,9H2,1-2H3,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.98	n/a	n/a	n/a	n/a	0.000537	1.29E+5	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
Neutrophil elastase (Homo sapiens (Human))	BDBM50406226 (CHEMBL342522) Show SMILES CCOc1nc2cc(ccc2c(=O)o1)N(C)C Show InChI InChI=1S/C12H14N2O3/c1-4-16-12-13-10-7-8(14(2)3)5-6-9(10)11(15)17-12/h5-7H,4H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.01	n/a	n/a	n/a	n/a	0.0000141	2.88E+3	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
Neutrophil elastase (Homo sapiens (Human))	BDBM50406208 (CHEMBL146004) Show SMILES CC(C)Nc1nc2cc(C)cc(C)c2c(=O)o1 Show InChI InChI=1S/C13H16N2O2/c1-7(2)14-13-15-10-6-8(3)5-9(4)11(10)12(16)17-13/h5-7H,1-4H3,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.31	n/a	n/a	n/a	n/a	0.0000151	2.57E+3	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
Neutrophil elastase (Homo sapiens (Human))	BDBM50406290 (CHEMBL141707) Show SMILES CCOc1nc2cc(N)ccc2c(=O)o1 Show InChI InChI=1S/C10H10N2O3/c1-2-14-10-12-8-5-6(11)3-4-7(8)9(13)15-10/h3-5H,2,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.31	n/a	n/a	n/a	n/a	0.0000436	7.59E+3	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
Neutrophil elastase (Homo sapiens (Human))	BDBM50406216 (CHEMBL146003) Show SMILES CC(C)Nc1nc2c(C)ccc(C)c2c(=O)o1 Show InChI InChI=1S/C13H16N2O2/c1-7(2)14-13-15-11-9(4)6-5-8(3)10(11)12(16)17-13/h5-7H,1-4H3,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.31	n/a	n/a	n/a	n/a	0.00000871	1.32E+3	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
Neutrophil elastase (Homo sapiens (Human))	BDBM50406271 (CHEMBL141553) Show SMILES CN(C(C)=O)c1nc2ccccc2c(=O)o1 Show InChI InChI=1S/C11H10N2O3/c1-7(14)13(2)11-12-9-6-4-3-5-8(9)10(15)16-11/h3-6H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.31	n/a	n/a	n/a	n/a	0.00631	1.10E+6	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
Neutrophil elastase (Homo sapiens (Human))	BDBM50288095 (2-Ethoxy-benzo[d][1,3]oxazin-4-one | CHEMBL450273) Show SMILES CCOc1nc2ccccc2c(=O)o1 Show InChI InChI=1S/C10H9NO3/c1-2-13-10-11-8-6-4-3-5-7(8)9(12)14-10/h3-6H,2H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	6.31	n/a	n/a	n/a	n/a	0.00102	1.59E+5	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
Neutrophil elastase (Homo sapiens (Human))	BDBM50291758 (5-Methyl-2-propylamino-benzo[d][1,3]oxazin-4-one |...) Show SMILES CCCNc1nc2cccc(C)c2c(=O)o1 Show InChI InChI=1S/C12H14N2O2/c1-3-7-13-12-14-9-6-4-5-8(2)10(9)11(15)16-12/h4-6H,3,7H2,1-2H3,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	6.31	n/a	n/a	n/a	n/a	0.000339	5.62E+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
Neutrophil elastase (Homo sapiens (Human))	BDBM50406266 (CHEMBL358112) Show SMILES CC(C)Sc1nc2ccccc2c(=O)o1 Show InChI InChI=1S/C11H11NO2S/c1-7(2)15-11-12-9-6-4-3-5-8(9)10(13)14-11/h3-7H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.94	n/a	n/a	n/a	n/a	0.0224	2.88E+6	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
Neutrophil elastase (Homo sapiens (Human))	BDBM50406313 (CHEMBL143792) Show SMILES CCSc1nc2ccccc2c(=O)o1 Show InChI InChI=1S/C10H9NO2S/c1-2-14-10-11-8-6-4-3-5-7(8)9(12)13-10/h3-6H,2H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.94	n/a	n/a	n/a	n/a	n/a	2.00E+6	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
Neutrophil elastase (Homo sapiens (Human))	BDBM50406307 (CHEMBL146010) Show SMILES CCc1cc(OC)cc2nc(NC(C)C)oc(=O)c12 Show InChI InChI=1S/C14H18N2O3/c1-5-9-6-10(18-4)7-11-12(9)13(17)19-14(16-11)15-8(2)3/h6-8H,5H2,1-4H3,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	0.00246	2.24E+5	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
Neutrophil elastase (Homo sapiens (Human))	BDBM50406257 (CHEMBL145252) Show SMILES COc1nc2cccc(C)c2c(=O)o1 Show InChI InChI=1S/C10H9NO3/c1-6-4-3-5-7-8(6)9(12)14-10(11-7)13-2/h3-5H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	3.47E+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
Neutrophil elastase (Homo sapiens (Human))	BDBM50406319 (CHEMBL145492) Show SMILES CCOc1nc2cc(N)cc(CC)c2c(=O)o1 Show InChI InChI=1S/C12H14N2O3/c1-3-7-5-8(13)6-9-10(7)11(15)17-12(14-9)16-4-2/h5-6H,3-4,13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	6.46E+3	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
Neutrophil elastase (Homo sapiens (Human))	BDBM50449417 (CHEMBL356307) Show SMILES CCCCN(C(C)=O)c1nc2ccccc2c(=O)o1 Show InChI InChI=1S/C14H16N2O3/c1-3-4-9-16(10(2)17)14-15-12-8-6-5-7-11(12)13(18)19-14/h5-8H,3-4,9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	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
Neutrophil elastase (Homo sapiens (Human))	BDBM50406186 (CHEMBL142970) Show SMILES CC(C)COc1nc2ccccc2c(=O)o1 Show InChI InChI=1S/C12H13NO3/c1-8(2)7-15-12-13-10-6-4-3-5-9(10)11(14)16-12/h3-6,8H,7H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	12.6	n/a	n/a	n/a	n/a	0.000562	4.90E+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
Neutrophil elastase (Homo sapiens (Human))	BDBM50406285 (CHEMBL145583) Show SMILES CCc1cccc2nc(N[C@@H](CC(C)C)C(=O)OC)oc(=O)c12 Show InChI InChI=1S/C17H22N2O4/c1-5-11-7-6-8-12-14(11)16(21)23-17(18-12)19-13(9-10(2)3)15(20)22-4/h6-8,10,13H,5,9H2,1-4H3,(H,18,19)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12.6	n/a	n/a	n/a	n/a	0.0000562	4.68E+3	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
Neutrophil elastase (Homo sapiens (Human))	BDBM50406273 (CHEMBL145471) Show SMILES CCc1cc(N)cc2nc(NC(C)C)oc(=O)c12 Show InChI InChI=1S/C13H17N3O2/c1-4-8-5-9(14)6-10-11(8)12(17)18-13(16-10)15-7(2)3/h5-7H,4,14H2,1-3H3,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15.8	n/a	n/a	n/a	n/a	0.0000282	1.66E+3	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
Neutrophil elastase (Homo sapiens (Human))	BDBM50406202 (CHEMBL343675) Show SMILES CCOC(=O)Nc1ccc2c(c1)nc(OCC)oc2=O Show InChI InChI=1S/C13H14N2O5/c1-3-18-12(17)14-8-5-6-9-10(7-8)15-13(19-4-2)20-11(9)16/h5-7H,3-4H2,1-2H3,(H,14,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	17.8	n/a	n/a	n/a	n/a	0.00107	6.03E+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
Neutrophil elastase (Homo sapiens (Human))	BDBM50406201 (CHEMBL145694) Show SMILES CC(C)C[C@H](NC(=O)C1CCCN1c1nc2ccccc2c(=O)o1)C(N)=O Show InChI InChI=1S/C19H24N4O4/c1-11(2)10-14(16(20)24)21-17(25)15-8-5-9-23(15)19-22-13-7-4-3-6-12(13)18(26)27-19/h3-4,6-7,11,14-15H,5,8-10H2,1-2H3,(H2,20,24)(H,21,25)/t14-,15?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19.9	n/a	n/a	n/a	n/a	0.000324	1.51E+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
Neutrophil elastase (Homo sapiens (Human))	BDBM50406215 (CHEMBL145718) Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1c1nc2ccccc2c(=O)o1)C(=O)NCC(N)=O Show InChI InChI=1S/C21H27N5O5/c1-12(2)10-15(18(28)23-11-17(22)27)24-19(29)16-8-5-9-26(16)21-25-14-7-4-3-6-13(14)20(30)31-21/h3-4,6-7,12,15-16H,5,8-11H2,1-2H3,(H2,22,27)(H,23,28)(H,24,29)/t15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19.9	n/a	n/a	n/a	n/a	0.000229	1.10E+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
Neutrophil elastase (Homo sapiens (Human))	BDBM50406203 (CHEMBL145214) Show SMILES CCCOc1cc(CC)c2c(c1)nc(NC(C)C)oc2=O Show InChI InChI=1S/C16H22N2O3/c1-5-7-20-12-8-11(6-2)14-13(9-12)18-16(17-10(3)4)21-15(14)19/h8-10H,5-7H2,1-4H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19.9	n/a	n/a	n/a	n/a	0.000912	4.27E+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
Neutrophil elastase (Homo sapiens (Human))	BDBM50406223 (CHEMBL143922) Show SMILES CSc1nc2ccccc2c(=O)o1 Show InChI InChI=1S/C9H7NO2S/c1-13-9-10-7-5-3-2-4-6(7)8(11)12-9/h2-5H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19.9	n/a	n/a	n/a	n/a	0.00724	3.47E+5	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
Neutrophil elastase (Homo sapiens (Human))	BDBM50406237 (CHEMBL343003) Show SMILES CCSc1nc2cc(CC)ccc2c(=O)o1 Show InChI InChI=1S/C12H13NO2S/c1-3-8-5-6-9-10(7-8)13-12(16-4-2)15-11(9)14/h5-7H,3-4H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19.9	n/a	n/a	n/a	n/a	n/a	2.00E+6	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
Neutrophil elastase (Homo sapiens (Human))	BDBM50291761 (2-Butylamino-5-methyl-benzo[d][1,3]oxazin-4-one | ...) Show SMILES CCCCNc1nc2cccc(C)c2c(=O)o1 Show InChI InChI=1S/C13H16N2O2/c1-3-4-8-14-13-15-10-7-5-6-9(2)11(10)12(16)17-13/h5-7H,3-4,8H2,1-2H3,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	25.1	n/a	n/a	n/a	n/a	0.000174	7.59E+3	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
Neutrophil elastase (Homo sapiens (Human))	BDBM50406281 (CHEMBL145601) Show SMILES COC(=O)[C@H](Nc1nc2ccccc2c(=O)o1)c1ccccc1 Show InChI InChI=1S/C17H14N2O4/c1-22-16(21)14(11-7-3-2-4-8-11)19-17-18-13-10-6-5-9-12(13)15(20)23-17/h2-10,14H,1H3,(H,18,19)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25.1	n/a	n/a	n/a	n/a	0.000417	1.51E+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
Neutrophil elastase (Homo sapiens (Human))	BDBM50406238 (CHEMBL144915) Show SMILES CCSc1nc2c(C)cccc2c(=O)o1 Show InChI InChI=1S/C11H11NO2S/c1-3-15-11-12-9-7(2)5-4-6-8(9)10(13)14-11/h4-6H,3H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	28.2	n/a	n/a	n/a	n/a	n/a	2.00E+6	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
Neutrophil elastase (Homo sapiens (Human))	BDBM50406189 (CHEMBL146381) Show SMILES Cc1cccc2nc(oc(=O)c12)C(F)(F)C(F)(F)C(F)(F)F Show InChI InChI=1S/C12H6F7NO2/c1-5-3-2-4-6-7(5)8(21)22-9(20-6)10(13,14)11(15,16)12(17,18)19/h2-4H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	31.6	n/a	n/a	n/a	n/a	0.0000977	2.57E+3	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
Neutrophil elastase (Homo sapiens (Human))	BDBM50406224 (CHEMBL145565) Show SMILES Cc1cccc2nc(oc(=O)c12)C(F)(F)F Show InChI InChI=1S/C10H6F3NO2/c1-5-3-2-4-6-7(5)8(15)16-9(14-6)10(11,12)13/h2-4H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	31.6	n/a	n/a	n/a	n/a	0.00371	1.29E+5	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
Neutrophil elastase (Homo sapiens (Human))	BDBM50291753 (2-Ethylamino-5-methyl-benzo[d][1,3]oxazin-4-one | ...) Show SMILES CCNc1nc2cccc(C)c2c(=O)o1 Show InChI InChI=1S/C11H12N2O2/c1-3-12-11-13-8-6-4-5-7(2)9(8)10(14)15-11/h4-6H,3H2,1-2H3,(H,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	31.6	n/a	n/a	n/a	n/a	0.00178	5.25E+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
Neutrophil elastase (Homo sapiens (Human))	BDBM50406200 (CHEMBL145055) Show SMILES COc1cc(C)c2c(c1)nc(NC(C)C)oc2=O Show InChI InChI=1S/C13H16N2O3/c1-7(2)14-13-15-10-6-9(17-4)5-8(3)11(10)12(16)18-13/h5-7H,1-4H3,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	39.8	n/a	n/a	n/a	n/a	0.000794	2.09E+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
Neutrophil elastase (Homo sapiens (Human))	BDBM50406256 (CHEMBL144900) Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1c1nc2ccccc2c(=O)o1 Show InChI InChI=1S/C22H22N4O4/c23-19(27)17(13-14-7-2-1-3-8-14)24-20(28)18-11-6-12-26(18)22-25-16-10-5-4-9-15(16)21(29)30-22/h1-5,7-10,17-18H,6,11-13H2,(H2,23,27)(H,24,28)/t17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	39.8	n/a	n/a	n/a	n/a	0.000537	1.45E+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
Neutrophil elastase (Homo sapiens (Human))	BDBM50406295 (CHEMBL424495) Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)Nc1nc2cc(C)cc(C)c2c(=O)o1 Show InChI InChI=1S/C23H33N3O5/c1-12(2)8-17(20(27)24-18(9-13(3)4)21(28)30-7)26-23-25-16-11-14(5)10-15(6)19(16)22(29)31-23/h10-13,17-18H,8-9H2,1-7H3,(H,24,27)(H,25,26)/t17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	39.8	n/a	n/a	n/a	n/a	n/a	1.26E+3	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
Neutrophil elastase (Homo sapiens (Human))	BDBM50406197 (CHEMBL358949) Show SMILES O=c1oc(SCc2ccccc2)nc2ccccc12 Show InChI InChI=1S/C15H11NO2S/c17-14-12-8-4-5-9-13(12)16-15(18-14)19-10-11-6-2-1-3-7-11/h1-9H,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	39.8	n/a	n/a	n/a	n/a	0.00209	5.25E+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
Neutrophil elastase (Homo sapiens (Human))	BDBM50291762 (2-sec-Butylamino-benzo[d][1,3]oxazin-4-one | CHEMB...) Show SMILES CCC(C)Nc1nc2ccccc2c(=O)o1 Show InChI InChI=1S/C12H14N2O2/c1-3-8(2)13-12-14-10-7-5-4-6-9(10)11(15)16-12/h4-8H,3H2,1-2H3,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	39.8	n/a	n/a	n/a	n/a	0.0105	2.40E+5	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
Neutrophil elastase (Homo sapiens (Human))	BDBM50406190 (CHEMBL356045) Show SMILES COC(=O)[C@@H](CC(C)C)Nc1nc2ccccc2c(=O)o1 Show InChI InChI=1S/C15H18N2O4/c1-9(2)8-12(14(19)20-3)17-15-16-11-7-5-4-6-10(11)13(18)21-15/h4-7,9,12H,8H2,1-3H3,(H,16,17)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	39.8	n/a	n/a	n/a	n/a	0.00138	3.98E+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

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