Compile Data Set for Download or QSAR

Found 196 hits of koff data for polymerid = 50000232,5023,5749,5761,50000232,5023,5749,5761   

Target (Institution)	Ligand	Target 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
Leukocyte elastase (Homo sapiens (Human))	BDBM50118029 (3-Isopropyl-1-methanesulfonyl-4-(4-piperidin-1-yl-...) Show SMILES Cl.CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)\C=C\CN2CCCCC2)N(C1=O)S(C)(=O)=O Show InChI InChI=1S/C19H31N3O4S/c1-14(2)17-18-15(22(19(17)24)27(3,25)26)9-13-21(18)16(23)8-7-12-20-10-5-4-6-11-20/h7-8,14-15,17-18H,4-6,9-13H2,1-3H3/b8-7+/t15-,17+,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	0.310	n/a	n/a	n/a	n/a	0.00000207	6.63E+3	n/a	n/a
GSK Curated by ChEMBL					Assay Description The compound was evaluated for its inhibitory activity against human neutrophil elastase (HNE) using whole blood assay				J Med Chem 45: 3878-90 (2002)
					More data for this Ligand-Target Pair
Leukocyte 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 AffyNet	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
					More data for this Ligand-Target Pair
Leukocyte 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 AffyNet	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
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50118027 (4-[1-(2,2-Dimethyl-propyl)-azetidine-3-carbonyl]-3...) Show SMILES CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)C2CN(CC(C)(C)C)C2)N(C1=O)S(C)(=O)=O Show InChI InChI=1S/C19H33N3O4S/c1-12(2)15-16-14(22(18(15)24)27(6,25)26)7-8-21(16)17(23)13-9-20(10-13)11-19(3,4)5/h12-16H,7-11H2,1-6H3/t14-,15+,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	1.73	n/a	n/a	n/a	n/a	0.0000109	6.31E+3	n/a	n/a
GSK Curated by ChEMBL					Assay Description The compound was evaluated for its inhibitory activity against human neutrophil elastase (HNE) using whole blood assay				J Med Chem 45: 3878-90 (2002)
					More data for this Ligand-Target Pair
Leukocyte 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 AffyNet	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
					More data for this Ligand-Target Pair
Leukocyte 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 AffyNet	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
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50029703 (4-Isopropyl-6-methoxy-1,1-dioxo-2-(1-phenyl-1H-tet...) Show SMILES COc1cc2c(C(=O)N(CSc3nnnn3-c3ccccc3)S2(=O)=O)c(c1)C(C)C Show InChI InChI=1S/C19H19N5O4S2/c1-12(2)15-9-14(28-3)10-16-17(15)18(25)23(30(16,26)27)11-29-19-20-21-22-24(19)13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article	n/a	n/a	n/a	n/a	n/a	0.0000120	4.45E+4	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against Human leukocyte elastase (HLE)				Citation and Details
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50029699 (2,6-Dichloro-benzoic acid 4-isopropyl-6-methoxy-1,...) Show SMILES COc1cc2c(C(=O)N(COC(=O)c3c(Cl)cccc3Cl)S2(=O)=O)c(c1)C(C)C Show InChI InChI=1S/C19H17Cl2NO6S/c1-10(2)12-7-11(27-3)8-15-16(12)18(23)22(29(15,25)26)9-28-19(24)17-13(20)5-4-6-14(17)21/h4-8,10H,9H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article	n/a	n/a	n/a	n/a	n/a	0.0000120	5.22E+5	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against Human leukocyte elastase (HLE)				Citation and Details
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50406306 (CHEMBL145107) Show SMILES CCN(CC)c1nc2c(C)ccc(C)c2c(=O)o1 Show InChI InChI=1S/C14H18N2O2/c1-5-16(6-2)14-15-12-10(4)8-7-9(3)11(12)13(17)18-14/h7-8H,5-6H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	100	n/a	n/a	n/a	n/a	0.0000138	132	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
					More data for this Ligand-Target Pair
Leukocyte 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 AffyNet	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
					More data for this Ligand-Target Pair
Leukocyte 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 AffyNet	PubMed	0.100	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
					More data for this Ligand-Target Pair
Leukocyte 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 AffyNet	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
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50286331 (4,7-Dimethoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-...) Show SMILES COc1ccc(OC)c2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C17H15N5O5S2/c1-26-12-8-9-13(27-2)15-14(12)16(23)21(29(15,24)25)10-28-17-18-19-20-22(17)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article	n/a	n/a	n/a	n/a	n/a	0.0000160	1.10E+3	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against Human leukocyte elastase (HLE)				Citation and Details
					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	CHEMBL PC cid PC sid UniChem Patents Similars AffyNet	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
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50406206 (CHEMBL145152) Show SMILES CC(C)Nc1nc2cc(N)cc(C)c2c(=O)o1 Show InChI InChI=1S/C12H15N3O2/c1-6(2)14-12-15-9-5-8(13)4-7(3)10(9)11(16)17-12/h4-6H,13H2,1-3H3,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	79.4	n/a	n/a	n/a	n/a	0.0000178	229	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
					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	CHEMBL PC cid PC sid UniChem Patents Similars AffyNet	Article	n/a	n/a	n/a	n/a	n/a	0.0000180	n/a	n/a	n/a
TBA					Assay Description Rate of deacylation by human leukocyte elastase				Citation and Details
					More data for this Ligand-Target Pair
Leukocyte 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 AffyNet	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
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50406244 (CHEMBL444082) Show SMILES Cc1cccc2nc(NCC(C)(C)C)oc(=O)c12 Show InChI InChI=1S/C14H18N2O2/c1-9-6-5-7-10-11(9)12(17)18-13(16-10)15-8-14(2,3)4/h5-7H,8H2,1-4H3,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	251	n/a	n/a	n/a	n/a	0.0000182	75.9	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
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50406212 (CHEMBL357238) Show SMILES COC(=O)[C@H](CC(C)C)Nc1nc2cc(C)cc(C)c2c(=O)o1 Show InChI InChI=1S/C17H22N2O4/c1-9(2)6-13(15(20)22-5)19-17-18-12-8-10(3)7-11(4)14(12)16(21)23-17/h7-9,13H,6H2,1-5H3,(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 AffyNet	PubMed	1.26E+3	n/a	n/a	n/a	n/a	0.0000200	15.8	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
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50406303 (CHEMBL145690) Show SMILES CCCCN(CCCC)c1nc2cccc(C)c2c(=O)o1 Show InChI InChI=1S/C17H24N2O2/c1-4-6-11-19(12-7-5-2)17-18-14-10-8-9-13(3)15(14)16(20)21-17/h8-10H,4-7,11-12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	398	n/a	n/a	n/a	n/a	0.0000240	66.1	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
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50286329 (2,6-Dichloro-benzoic acid 4-isopropyl-6-(4-methyl-...) Show SMILES CC(C)c1cc(cc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O)N1CCN(C)CC1 Show InChI InChI=1S/C23H25Cl2N3O5S/c1-14(2)16-11-15(27-9-7-26(3)8-10-27)12-19-20(16)22(29)28(34(19,31)32)13-33-23(30)21-17(24)5-4-6-18(21)25/h4-6,11-12,14H,7-10,13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article	n/a	n/a	n/a	n/a	n/a	0.0000240	2.15E+4	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against Human leukocyte elastase (HLE)				Citation and Details
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50286328 (2,6-Dichloro-benzoic acid 6-dimethylamino-4-isopro...) Show SMILES CC(C)c1cc(cc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O)N(C)C Show InChI InChI=1S/C20H20Cl2N2O5S/c1-11(2)13-8-12(23(3)4)9-16-17(13)19(25)24(30(16,27)28)10-29-20(26)18-14(21)6-5-7-15(18)22/h5-9,11H,10H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article	n/a	n/a	n/a	n/a	n/a	0.0000270	1.23E+4	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against Human leukocyte elastase (HLE)				Citation and Details
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50039631 (2,6-Dichloro-benzoic acid 4-isopropyl-1,1,3-trioxo...) Show SMILES CC(C)c1cccc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O Show InChI InChI=1S/C18H15Cl2NO5S/c1-10(2)11-5-3-8-14-15(11)17(22)21(27(14,24)25)9-26-18(23)16-12(19)6-4-7-13(16)20/h3-8,10H,9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article	n/a	n/a	n/a	n/a	n/a	0.0000270	9.00E+5	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against Human leukocyte elastase (HLE)				Citation and Details
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50282874 (4-Isopropyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-yl...) Show SMILES CC(C)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C18H17N5O3S2/c1-12(2)14-9-6-10-15-16(14)17(24)22(28(15,25)26)11-27-18-19-20-21-23(18)13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article	n/a	n/a	n/a	n/a	n/a	0.0000280	9.40E+4	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against Human leukocyte elastase (HLE)				Citation and Details
					More data for this Ligand-Target Pair
Leukocyte 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 AffyNet	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
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50286327 (4,6-Dimethoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-...) Show SMILES COc1cc2c(C(=O)N(CSc3nnnn3-c3ccccc3)S2(=O)=O)c(OC)c1 Show InChI InChI=1S/C17H15N5O5S2/c1-26-12-8-13(27-2)15-14(9-12)29(24,25)21(16(15)23)10-28-17-18-19-20-22(17)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article	n/a	n/a	n/a	n/a	n/a	0.0000290	4.90E+4	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against Human leukocyte elastase (HLE)				Citation and Details
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50064322 ((4-Oxo-5,6,7,8-tetrahydro-4H-benzo[4,5]thieno[2,3-...) Show SMILES COC(=O)CSc1nc2sc3CCCCc3c2c(=O)o1 Show InChI InChI=1S/C13H13NO4S2/c1-17-9(15)6-19-13-14-11-10(12(16)18-13)7-4-2-3-5-8(7)20-11/h2-6H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	17.9	n/a	n/a	n/a	n/a	0.0000292	1.63E+3	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Steady state inhibition constant for Human Leukocyte Elastase inhibition				Citation and Details
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50064309 (2-Isobutoxy-5,6-dimethyl-thieno[2,3-d][1,3]oxazin-...) Show SMILES CC(C)COc1nc2sc(C)c(C)c2c(=O)o1 Show InChI InChI=1S/C12H15NO3S/c1-6(2)5-15-12-13-10-9(11(14)16-12)7(3)8(4)17-10/h6H,5H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	133	n/a	n/a	n/a	n/a	0.0000292	219	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Steady state inhibition constant for Human Leukocyte Elastase inhibition				Citation and Details
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50286326 (2,6-Dichloro-benzoic acid 6-fluoro-4-isopropyl-1,1...) Show SMILES CC(C)c1cc(F)cc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O Show InChI InChI=1S/C18H14Cl2FNO5S/c1-9(2)11-6-10(21)7-14-15(11)17(23)22(28(14,25)26)8-27-18(24)16-12(19)4-3-5-13(16)20/h3-7,9H,8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article	n/a	n/a	n/a	n/a	n/a	0.0000300	1.00E+6	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against Human leukocyte elastase (HLE)				Citation and Details
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50406258 (CHEMBL145568) 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-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	100	n/a	n/a	n/a	n/a	0.0000372	363	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
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50406196 (CHEMBL335798) Show SMILES CC(C)N(C(C)C)c1nc2cccc(C)c2c(=O)o1 Show InChI InChI=1S/C15H20N2O2/c1-9(2)17(10(3)4)15-16-12-8-6-7-11(5)13(12)14(18)19-15/h6-10H,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	398	n/a	n/a	n/a	n/a	0.0000389	97.7	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
					More data for this Ligand-Target Pair
Leukocyte 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 AffyNet	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
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50286333 (5,6-Dimethoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-...) Show SMILES CCCc1c2C(=O)N(CSc3nnnn3-c3ccccc3)S(=O)(=O)c2cc(OC)c1OC Show InChI InChI=1S/C20H21N5O5S2/c1-4-8-14-17-16(11-15(29-2)18(14)30-3)32(27,28)24(19(17)26)12-31-20-21-22-23-25(20)13-9-6-5-7-10-13/h5-7,9-11H,4,8,12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article	n/a	n/a	n/a	n/a	n/a	0.0000470	2.40E+5	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against Human leukocyte elastase (HLE)				Citation and Details
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50064317 (2-Isobutoxy-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,...) Show SMILES CC(C)COc1nc2sc3CCCCc3c2c(=O)o1 Show InChI InChI=1S/C14H17NO3S/c1-8(2)7-17-14-15-12-11(13(16)18-14)9-5-3-4-6-10(9)19-12/h8H,3-7H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	51	n/a	n/a	n/a	n/a	0.0000515	1.01E+3	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Steady state inhibition constant for Human Leukocyte Elastase inhibition				Citation and Details
					More data for this Ligand-Target Pair
Leukocyte 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 AffyNet	PubMed	0.100	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
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50282873 (4-sec-Butyl-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-yl...) Show SMILES CCC(C)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C19H19N5O3S2/c1-3-13(2)15-10-7-11-16-17(15)18(25)23(29(16,26)27)12-28-19-20-21-22-24(19)14-8-5-4-6-9-14/h4-11,13H,3,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article	n/a	n/a	n/a	n/a	n/a	0.0000560	9.40E+4	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against Human leukocyte elastase (HLE)				Citation and Details
					More data for this Ligand-Target Pair
Leukocyte 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 AffyNet	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
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50286332 (4-Isopropyl-5,6-dimethoxy-1,1-dioxo-2-(1-phenyl-1H...) Show SMILES COc1cc2c(C(=O)N(CSc3nnnn3-c3ccccc3)S2(=O)=O)c(C(C)C)c1OC Show InChI InChI=1S/C20H21N5O5S2/c1-12(2)16-17-15(10-14(29-3)18(16)30-4)32(27,28)24(19(17)26)11-31-20-21-22-23-25(20)13-8-6-5-7-9-13/h5-10,12H,11H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article	n/a	n/a	n/a	n/a	n/a	0.0000610	1.18E+4	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against Human leukocyte elastase (HLE)				Citation and Details
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50064308 (2-Diethylamino-5,6,7,8-tetrahydro-benzo[4,5]thieno...) Show SMILES CCN(CC)c1nc2sc3CCCCc3c2c(=O)o1 Show InChI InChI=1S/C14H18N2O2S/c1-3-16(4-2)14-15-12-11(13(17)18-14)9-7-5-6-8-10(9)19-12/h3-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	16.3	n/a	n/a	n/a	n/a	0.0000612	3.75E+3	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Steady state inhibition constant for Human Leukocyte Elastase inhibition				Citation and Details
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50064314 (5,6-Dimethyl-2-propoxy-thieno[2,3-d][1,3]oxazin-4-...) Show SMILES CCCOc1nc2sc(C)c(C)c2c(=O)o1 Show InChI InChI=1S/C11H13NO3S/c1-4-5-14-11-12-9-8(10(13)15-11)6(2)7(3)16-9/h4-5H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	4.02	n/a	n/a	n/a	n/a	0.0000628	1.56E+4	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Steady state inhibition constant for Human Leukocyte Elastase inhibition				Citation and Details
					More data for this Ligand-Target Pair
Leukocyte 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 AffyNet	Article	n/a	n/a	n/a	n/a	n/a	0.0000660	n/a	n/a	n/a
TBA					Assay Description Rate of deacylation by human leukocyte elastase				Citation and Details
					More data for this Ligand-Target Pair
Leukocyte 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 AffyNet	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
					More data for this Ligand-Target Pair
Leukocyte 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 AffyNet	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
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50064323 (2-Benzylsulfanyl-5,6,7,8-tetrahydro-benzo[4,5]thie...) Show SMILES O=c1oc(SCc2ccccc2)nc2sc3CCCCc3c12 Show InChI InChI=1S/C17H15NO2S2/c19-16-14-12-8-4-5-9-13(12)22-15(14)18-17(20-16)21-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article PubMed	290	n/a	n/a	n/a	n/a	0.0000692	239	n/a	n/a
University of Leipzig Curated by ChEMBL					Assay Description Steady state inhibition constant for Human Leukocyte Elastase inhibition				Citation and Details
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50282868 (1,1-Dioxo-2-(1-phenyl-1H-tetrazol-5-ylsulfanylmeth...) Show SMILES CCCc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C18H17N5O3S2/c1-2-7-13-8-6-11-15-16(13)17(24)22(28(15,25)26)12-27-18-19-20-21-23(18)14-9-4-3-5-10-14/h3-6,8-11H,2,7,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article	n/a	n/a	n/a	n/a	n/a	0.0000700	1.00E+4	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against Human leukocyte elastase (HLE)				Citation and Details
					More data for this Ligand-Target Pair
Leukocyte 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 AffyNet	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
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50406210 (CHEMBL443745) Show SMILES CCC(C)CNc1nc2cccc(C)c2c(=O)o1 Show InChI InChI=1S/C14H18N2O2/c1-4-9(2)8-15-14-16-11-7-5-6-10(3)12(11)13(17)18-14/h5-7,9H,4,8H2,1-3H3,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	631	n/a	n/a	n/a	n/a	0.0000741	112	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
					More data for this Ligand-Target Pair
Leukocyte 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 AffyNet	PubMed	0.100	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
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50282878 (4-Methoxy-1,1-dioxo-2-(1-phenyl-1H-tetrazol-5-ylsu...) Show SMILES COc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O Show InChI InChI=1S/C16H13N5O4S2/c1-25-12-8-5-9-13-14(12)15(22)20(27(13,23)24)10-26-16-17-18-19-21(16)11-6-3-2-4-7-11/h2-9H,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	Article	n/a	n/a	n/a	n/a	n/a	0.0000760	5.60E+3	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against Human leukocyte elastase (HLE)				Citation and Details
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50291754 (2-Amino-5-ethyl-benzo[d][1,3]oxazin-4-one | CHEMBL...) Show SMILES CCc1cccc2nc(N)oc(=O)c12 Show InChI InChI=1S/C10H10N2O2/c1-2-6-4-3-5-7-8(6)9(13)14-10(11)12-7/h3-5H,2H2,1H3,(H2,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars AffyNet	PubMed	5.01E+3	n/a	n/a	n/a	n/a	0.0000776	15.1	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
					More data for this Ligand-Target Pair

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