Compile Data Set for Download or QSAR

Found 778 hits with Last Name = 'frank' and Initial = 'a'   

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))	BDBM50029704 (2-(4-Benzyl-5-oxo-2,5-dihydro-furan-3-yloxymethyl)...) Show SMILES COc1cc2c(C(=O)N(COC3=C(Cc4ccccc4)C(=O)OC3)S2(=O)=O)c(c1)C(C)C |c:11| Show InChI InChI=1S/C23H23NO7S/c1-14(2)17-10-16(29-3)11-20-21(17)22(25)24(32(20,27)28)13-31-19-12-30-23(26)18(19)9-15-7-5-4-6-8-15/h4-8,10-11,14H,9,12-13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0130	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))	BDBM50029709 (2-(4-Benzyl-2-methyl-5-oxo-2,5-dihydro-furan-3-ylo...) Show SMILES COc1cc2c(C(=O)N(COC3=C(Cc4ccccc4)C(=O)OC3C)S2(=O)=O)c(c1)C(C)C |c:11| Show InChI InChI=1S/C24H25NO7S/c1-14(2)18-11-17(30-4)12-20-21(18)23(26)25(33(20,28)29)13-31-22-15(3)32-24(27)19(22)10-16-8-6-5-7-9-16/h5-9,11-12,14-15H,10,13H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0160	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))	BDBM50029710 (4-Isopropyl-6-methoxy-2-(2-methyl-5-oxo-4-phenyl-2...) Show SMILES COc1cc2c(C(=O)N(COC3=C(C(=O)OC3C)c3ccccc3)S2(=O)=O)c(c1)C(C)C |t:11| Show InChI InChI=1S/C23H23NO7S/c1-13(2)17-10-16(29-4)11-18-20(17)22(25)24(32(18,27)28)12-30-21-14(3)31-23(26)19(21)15-8-6-5-7-9-15/h5-11,13-14H,12H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0210	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))	BDBM50285289 (2,6-Dichloro-3-(2-morpholin-4-yl-ethoxy)-benzoic a...) Show SMILES CCOc1cc(OC)cc2c1C(=O)N(COC(=O)c1c(Cl)ccc(OCCN3CCOCC3)c1Cl)S2(=O)=O Show InChI InChI=1S/C24H26Cl2N2O9S/c1-3-35-18-12-15(33-2)13-19-21(18)23(29)28(38(19,31)32)14-37-24(30)20-16(25)4-5-17(22(20)26)36-11-8-27-6-9-34-10-7-27/h4-5,12-13H,3,6-11,14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.0220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Human Leukocyte Elastase (HLE) as apparent binding constant (kreact/kinact)				Bioorg Med Chem Lett 5: 105-109 (1995) Article DOI: 10.1016/0960-894X(94)00466-S BindingDB Entry DOI: 10.7270/Q2V69JJN
					More data for this Ligand-Target Pair
Neutrophil 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	PubMed	0.0230	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))	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	Article	0.0230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against Human leukocyte elastase (HLE)				Bioorg Med Chem Lett 5: 331-336 (1995) Article DOI: 10.1016/0960-894X(95)00030-W BindingDB Entry DOI: 10.7270/Q2SX6D60
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50029717 (2-(3-Chloro-6-methyl-2-oxo-2H-pyran-4-yloxymethyl)...) Show SMILES COc1cc2c(C(=O)N(COc3cc(C)oc(=O)c3Cl)S2(=O)=O)c(c1)C(C)C Show InChI InChI=1S/C18H18ClNO7S/c1-9(2)12-6-11(25-4)7-14-15(12)17(21)20(28(14,23)24)8-26-13-5-10(3)27-18(22)16(13)19/h5-7,9H,8H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0250	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))	BDBM50029698 (4-Isopropyl-6-methoxy-1,1-dioxo-2-(5-oxo-4-phenyl-...) Show SMILES COc1cc2c(C(=O)N(COC3=C(C(=O)OC3)c3ccccc3)S2(=O)=O)c(c1)C(C)C |t:11| Show InChI InChI=1S/C22H21NO7S/c1-13(2)16-9-15(28-3)10-18-20(16)21(24)23(31(18,26)27)12-30-17-11-29-22(25)19(17)14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0250	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))	BDBM50029696 (2-(3-Benzoyl-6-methyl-2-oxo-2H-pyran-4-yloxymethyl...) Show SMILES COc1cc2c(C(=O)N(COc3cc(C)oc(=O)c3C(=O)c3ccccc3)S2(=O)=O)c(c1)C(C)C Show InChI InChI=1S/C25H23NO8S/c1-14(2)18-11-17(32-4)12-20-21(18)24(28)26(35(20,30)31)13-33-19-10-15(3)34-25(29)22(19)23(27)16-8-6-5-7-9-16/h5-12,14H,13H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0270	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))	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	Article	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against Human leukocyte elastase (HLE)				Bioorg Med Chem Lett 5: 331-336 (1995) Article DOI: 10.1016/0960-894X(95)00030-W BindingDB Entry DOI: 10.7270/Q2SX6D60
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50029712 (2-(4-Chloro-5-oxo-2,5-dihydro-furan-3-yloxymethyl)...) Show SMILES COc1cc2c(C(=O)N(COC3=C(Cl)C(=O)OC3)S2(=O)=O)c(c1)C(C)C |c:11| Show InChI InChI=1S/C16H16ClNO7S/c1-8(2)10-4-9(23-3)5-12-13(10)15(19)18(26(12,21)22)7-25-11-6-24-16(20)14(11)17/h4-5,8H,6-7H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0300	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))	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	Article	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against Human leukocyte elastase (HLE)				Bioorg Med Chem Lett 5: 331-336 (1995) Article DOI: 10.1016/0960-894X(95)00030-W BindingDB Entry DOI: 10.7270/Q2SX6D60
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50029713 (4-Isopropyl-6-methoxy-1,1-dioxo-2-(3-oxo-cyclobut-...) Show SMILES COc1cc2c(C(=O)N(COC3=CC(=O)C3)S2(=O)=O)c(c1)C(C)C |t:11| Show InChI InChI=1S/C16H17NO6S/c1-9(2)13-6-11(22-3)7-14-15(13)16(19)17(24(14,20)21)8-23-12-4-10(18)5-12/h4,6-7,9H,5,8H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0330	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))	BDBM50029691 (2-(2-Benzyl-3-oxo-cyclopent-1-enyloxymethyl)-4-iso...) Show SMILES COc1cc2c(C(=O)N(COC3=C(Cc4ccccc4)C(=O)CC3)S2(=O)=O)c(c1)C(C)C |c:11| Show InChI InChI=1S/C24H25NO6S/c1-15(2)18-12-17(30-3)13-22-23(18)24(27)25(32(22,28)29)14-31-21-10-9-20(26)19(21)11-16-7-5-4-6-8-16/h4-8,12-13,15H,9-11,14H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0340	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))	BDBM50034671 (CHEMBL41327 | Phosphoric acid diethyl ester 4-isop...) Show SMILES CCOP(=O)(OCC)OCN1C(=O)c2c(cc(OC)cc2C(C)C)S1(=O)=O Show InChI InChI=1S/C16H24NO8PS/c1-6-23-26(19,24-7-2)25-10-17-16(18)15-13(11(3)4)8-12(22-5)9-14(15)27(17,20)21/h8-9,11H,6-7,10H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0350	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 In vitro inhibitory activity against Human leukocyte elastase				J Med Chem 38: 1571-4 (1995) BindingDB Entry DOI: 10.7270/Q2M32TS7
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50285280 (2,6-Dichloro-benzoic acid 4-ethoxy-6-methoxy-1,1,3...) Show SMILES CCOc1cc(OC)cc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O Show InChI InChI=1S/C18H15Cl2NO7S/c1-3-27-13-7-10(26-2)8-14-16(13)17(22)21(29(14,24)25)9-28-18(23)15-11(19)5-4-6-12(15)20/h4-8H,3,9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.0490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Human Leukocyte Elastase (HLE) as apparent binding constant (kreact/kinact)				Bioorg Med Chem Lett 5: 105-109 (1995) Article DOI: 10.1016/0960-894X(94)00466-S BindingDB Entry DOI: 10.7270/Q2V69JJN
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50029692 (4-Isopropyl-6-methoxy-2-(6-methyl-2-oxo-2H-pyran-4...) Show SMILES COc1cc2c(C(=O)N(COc3cc(C)oc(=O)c3)S2(=O)=O)c(c1)C(C)C Show InChI InChI=1S/C18H19NO7S/c1-10(2)14-6-12(24-4)7-15-17(14)18(21)19(27(15,22)23)9-25-13-5-11(3)26-16(20)8-13/h5-8,10H,9H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0500	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))	BDBM50029695 (4-Isopropyl-6-methoxy-1,1-dioxo-2-(5-oxo-2,5-dihyd...) Show SMILES COc1cc2c(C(=O)N(COC3=CC(=O)OC3)S2(=O)=O)c(c1)C(C)C |t:11| Show InChI InChI=1S/C16H17NO7S/c1-9(2)12-4-10(22-3)5-13-15(12)16(19)17(25(13,20)21)8-24-11-6-14(18)23-7-11/h4-6,9H,7-8H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0520	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))	BDBM50029711 (3-Bromo-2-(4-isopropyl-6-methoxy-1,1,3-trioxo-1,3-...) Show SMILES COc1cc2c(C(=O)N(COc3nc4ccccn4c(=O)c3Br)S2(=O)=O)c(c1)C(C)C Show InChI InChI=1S/C20H18BrN3O6S/c1-11(2)13-8-12(29-3)9-14-16(13)19(25)24(31(14,27)28)10-30-18-17(21)20(26)23-7-5-4-6-15(23)22-18/h4-9,11H,10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0580	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))	BDBM50029720 (4-Isopropyl-6-methoxy-2-(2-methyl-3-oxo-cyclopent-...) Show SMILES COc1cc2c(C(=O)N(COC3=C(C)C(=O)CC3)S2(=O)=O)c(c1)C(C)C |c:11| Show InChI InChI=1S/C18H21NO6S/c1-10(2)13-7-12(24-4)8-16-17(13)18(21)19(26(16,22)23)9-25-15-6-5-14(20)11(15)3/h7-8,10H,5-6,9H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0600	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))	BDBM50029707 (3-Chloro-2-(4-isopropyl-6-methoxy-1,1,3-trioxo-1,3...) Show SMILES COc1cc2c(C(=O)N(COc3nc4ccccn4c(=O)c3Cl)S2(=O)=O)c(c1)C(C)C Show InChI InChI=1S/C20H18ClN3O6S/c1-11(2)13-8-12(29-3)9-14-16(13)19(25)24(31(14,27)28)10-30-18-17(21)20(26)23-7-5-4-6-15(23)22-18/h4-9,11H,10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0660	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))	BDBM50034676 (CHEMBL41881 | Phosphoric acid 4-sec-butyl-1,1,3-tr...) Show SMILES CCOP(=O)(OCC)OCN1C(=O)c2c(cccc2C(C)CC)S1(=O)=O Show InChI InChI=1S/C16H24NO7PS/c1-5-12(4)13-9-8-10-14-15(13)16(18)17(26(14,20)21)11-24-25(19,22-6-2)23-7-3/h8-10,12H,5-7,11H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0700	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 In vitro inhibitory activity against Human leukocyte elastase				J Med Chem 38: 1571-4 (1995) BindingDB Entry DOI: 10.7270/Q2M32TS7
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50285286 (2,6-Dichloro-3-(2-morpholin-4-yl-ethoxy)-benzoic a...) Show SMILES CCOc1cc2c(C(=O)N(COC(=O)c3c(Cl)ccc(OCCN4CCOCC4)c3Cl)S2(=O)=O)c(OCC)c1 Show InChI InChI=1S/C25H28Cl2N2O9S/c1-3-35-16-13-19(36-4-2)22-20(14-16)39(32,33)29(24(22)30)15-38-25(31)21-17(26)5-6-18(23(21)27)37-12-9-28-7-10-34-11-8-28/h5-6,13-14H,3-4,7-12,15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Human Leukocyte Elastase (HLE) as apparent binding constant (kreact/kinact)				Bioorg Med Chem Lett 5: 105-109 (1995) Article DOI: 10.1016/0960-894X(94)00466-S BindingDB Entry DOI: 10.7270/Q2V69JJN
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50029721 (2-(4-Isopropyl-6-methoxy-1,1,3-trioxo-1,3-dihydro-...) Show SMILES COc1cc2c(C(=O)N(COc3cc(=O)n4ccccc4n3)S2(=O)=O)c(c1)C(C)C Show InChI InChI=1S/C20H19N3O6S/c1-12(2)14-8-13(28-3)9-15-19(14)20(25)23(30(15,26)27)11-29-17-10-18(24)22-7-5-4-6-16(22)21-17/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	PubMed	0.0780	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))	BDBM50285283 (2,6-Dichloro-benzoic acid 4,6-dimethoxy-1,1,3-trio...) Show SMILES COc1cc2c(C(=O)N(COC(=O)c3c(Cl)cccc3Cl)S2(=O)=O)c(OC)c1 Show InChI InChI=1S/C17H13Cl2NO7S/c1-25-9-6-12(26-2)15-13(7-9)28(23,24)20(16(15)21)8-27-17(22)14-10(18)4-3-5-11(14)19/h3-7H,8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Human Leukocyte Elastase (HLE) as apparent binding constant (kreact/kinact)				Bioorg Med Chem Lett 5: 105-109 (1995) Article DOI: 10.1016/0960-894X(94)00466-S BindingDB Entry DOI: 10.7270/Q2V69JJN
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50285284 (2,6-Dichloro-benzoic acid 4,6-diethoxy-1,1,3-triox...) Show SMILES CCOc1cc2c(C(=O)N(COC(=O)c3c(Cl)cccc3Cl)S2(=O)=O)c(OCC)c1 Show InChI InChI=1S/C19H17Cl2NO7S/c1-3-27-11-8-14(28-4-2)17-15(9-11)30(25,26)22(18(17)23)10-29-19(24)16-12(20)6-5-7-13(16)21/h5-9H,3-4,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Human Leukocyte Elastase (HLE) as apparent binding constant (kreact/kinact)				Bioorg Med Chem Lett 5: 105-109 (1995) Article DOI: 10.1016/0960-894X(94)00466-S BindingDB Entry DOI: 10.7270/Q2V69JJN
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50029715 (4-Isopropyl-6-methoxy-1,1-dioxo-2-(3-oxo-3H-inden-...) Show SMILES COc1cc2c(C(=O)N(COC3=CC(=O)c4ccccc34)S2(=O)=O)c(c1)C(C)C |t:11| Show InChI InChI=1S/C21H19NO6S/c1-12(2)16-8-13(27-3)9-19-20(16)21(24)22(29(19,25)26)11-28-18-10-17(23)14-6-4-5-7-15(14)18/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	PubMed	0.0830	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))	BDBM50029718 (4-Isopropyl-6-methoxy-1,1-dioxo-2-(2-oxo-2H-chrome...) Show SMILES COc1cc2c(C(=O)N(COc3cc(=O)oc4ccccc34)S2(=O)=O)c(c1)C(C)C Show InChI InChI=1S/C21H19NO7S/c1-12(2)15-8-13(27-3)9-18-20(15)21(24)22(30(18,25)26)11-28-17-10-19(23)29-16-7-5-4-6-14(16)17/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	PubMed	0.0900	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
Estrogen receptor (Homo sapiens (Human))	BDBM50212159 (2-(4-isopropylphenyl)-3-(4-(2-(piperidin-1-yl)etho...) Show SMILES CC(C)c1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C30H33NO3S/c1-21(2)22-6-8-23(9-7-22)30-29(27-15-10-24(32)20-28(27)35-30)34-26-13-11-25(12-14-26)33-19-18-31-16-4-3-5-17-31/h6-15,20-21,32H,3-5,16-19H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human recombinant ERalpha				Bioorg Med Chem Lett 17: 3544-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.044 BindingDB Entry DOI: 10.7270/Q2ZS2W6F
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50029700 (4-Isopropyl-6-methoxy-2-(2-methyl-5-oxo-2,5-dihydr...) Show SMILES COc1cc2c(C(=O)N(COC3=CC(=O)OC3C)S2(=O)=O)c(c1)C(C)C |t:11| Show InChI InChI=1S/C17H19NO7S/c1-9(2)12-5-11(23-4)6-14-16(12)17(20)18(26(14,21)22)8-24-13-7-15(19)25-10(13)3/h5-7,9-10H,8H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0930	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))	BDBM50034677 (CHEMBL288810 | Phosphoric acid diethyl ester 4-iso...) Show SMILES CCOP(=O)(OCC)OCN1C(=O)c2c(cccc2C(C)C)S1(=O)=O Show InChI InChI=1S/C15H22NO7PS/c1-5-21-24(18,22-6-2)23-10-16-15(17)14-12(11(3)4)8-7-9-13(14)25(16,19)20/h7-9,11H,5-6,10H2,1-4H3	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	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description In vitro inhibitory activity against Human leukocyte elastase				J Med Chem 38: 1571-4 (1995) BindingDB Entry DOI: 10.7270/Q2M32TS7
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50285287 (2,6-Dichloro-3-(2-pyrrolidin-1-yl-ethoxy)-benzoic ...) Show SMILES CCOc1cc2c(C(=O)N(COC(=O)c3c(Cl)ccc(OCCN4CCCC4)c3Cl)S2(=O)=O)c(OCC)c1 Show InChI InChI=1S/C25H28Cl2N2O8S/c1-3-34-16-13-19(35-4-2)22-20(14-16)38(32,33)29(24(22)30)15-37-25(31)21-17(26)7-8-18(23(21)27)36-12-11-28-9-5-6-10-28/h7-8,13-14H,3-6,9-12,15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Human Leukocyte Elastase (HLE) as apparent binding constant (kreact/kinact)				Bioorg Med Chem Lett 5: 105-109 (1995) Article DOI: 10.1016/0960-894X(94)00466-S BindingDB Entry DOI: 10.7270/Q2V69JJN
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50029706 (2-(4-Isopropyl-6-methoxy-1,1,3-trioxo-1,3-dihydro-...) Show SMILES COc1cc2c(C(=O)N(COc3cc(=O)n4CCCCc4n3)S2(=O)=O)c(c1)C(C)C Show InChI InChI=1S/C20H23N3O6S/c1-12(2)14-8-13(28-3)9-15-19(14)20(25)23(30(15,26)27)11-29-17-10-18(24)22-7-5-4-6-16(22)21-17/h8-10,12H,4-7,11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.110	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))	BDBM50029716 (2-(1-Benzyl-5-oxo-2,5-dihydro-1H-pyrrol-3-yloxymet...) Show SMILES COc1cc2c(C(=O)N(COC3=CC(=O)N(Cc4ccccc4)C3)S2(=O)=O)c(c1)C(C)C |t:11| Show InChI InChI=1S/C23H24N2O6S/c1-15(2)19-9-17(30-3)10-20-22(19)23(27)25(32(20,28)29)14-31-18-11-21(26)24(13-18)12-16-7-5-4-6-8-16/h4-11,15H,12-14H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.140	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
Estrogen receptor beta (Homo sapiens (Human))	BDBM50212148 (6-(3-fluorophenyl)-5-(4-(2-(piperidin-1-yl)ethoxy)...) Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1cccc(F)c1 Show InChI InChI=1S/C29H28FNO3/c30-23-6-4-5-21(19-23)27-13-7-22-20-24(32)8-14-28(22)29(27)34-26-11-9-25(10-12-26)33-18-17-31-15-2-1-3-16-31/h4-14,19-20,32H,1-3,15-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human recombinant ERbeta				Bioorg Med Chem Lett 17: 3544-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.044 BindingDB Entry DOI: 10.7270/Q2ZS2W6F
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50285290 (2,6-Dichloro-benzoic acid 4-ethoxy-1,1,3-trioxo-1,...) Show SMILES CCOc1cccc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O Show InChI InChI=1S/C17H13Cl2NO6S/c1-2-25-12-7-4-8-13-15(12)16(21)20(27(13,23)24)9-26-17(22)14-10(18)5-3-6-11(14)19/h3-8H,2,9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Human Leukocyte Elastase (HLE) as apparent binding constant (kreact/kinact)				Bioorg Med Chem Lett 5: 105-109 (1995) Article DOI: 10.1016/0960-894X(94)00466-S BindingDB Entry DOI: 10.7270/Q2V69JJN
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50212148 (6-(3-fluorophenyl)-5-(4-(2-(piperidin-1-yl)ethoxy)...) Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1cccc(F)c1 Show InChI InChI=1S/C29H28FNO3/c30-23-6-4-5-21(19-23)27-13-7-22-20-24(32)8-14-28(22)29(27)34-26-11-9-25(10-12-26)33-18-17-31-15-2-1-3-16-31/h4-14,19-20,32H,1-3,15-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human recombinant ERalpha				Bioorg Med Chem Lett 17: 3544-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.044 BindingDB Entry DOI: 10.7270/Q2ZS2W6F
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50029708 (4-Isopropyl-6-methoxy-2-(2-methyl-3-oxo-cyclohex-1...) Show SMILES COc1cc2c(C(=O)N(COC3=C(C)C(=O)CCC3)S2(=O)=O)c(c1)C(C)C |c:11| Show InChI InChI=1S/C19H23NO6S/c1-11(2)14-8-13(25-4)9-17-18(14)19(22)20(27(17,23)24)10-26-16-7-5-6-15(21)12(16)3/h8-9,11H,5-7,10H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.180	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
Estrogen receptor (Homo sapiens (Human))	BDBM19964 (6-(4-hydroxyphenyl)-5-({4-[2-(piperidin-1-yl)ethox...) Show SMILES Oc1ccc(cc1)-c1ccc2cc(O)ccc2c1Cc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C30H31NO3/c32-25-9-6-23(7-10-25)28-14-8-24-21-26(33)11-15-29(24)30(28)20-22-4-12-27(13-5-22)34-19-18-31-16-2-1-3-17-31/h4-15,21,32-33H,1-3,16-20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	0.200	-54.8	n/a	n/a	1.14	n/a	n/a	7.5	22
Lilly Research Laboratories					Assay Description The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...				J Med Chem 48: 6772-5 (2005) Article DOI: 10.1021/jm050723z BindingDB Entry DOI: 10.7270/Q2RR1WHW
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50212157 (6-(3,4-difluorophenyl)-5-(4-(2-(piperidin-1-yl)eth...) Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1ccc(F)c(F)c1 Show InChI InChI=1S/C29H27F2NO3/c30-27-13-5-21(19-28(27)31)25-11-4-20-18-22(33)6-12-26(20)29(25)35-24-9-7-23(8-10-24)34-17-16-32-14-2-1-3-15-32/h4-13,18-19,33H,1-3,14-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human recombinant ERalpha				Bioorg Med Chem Lett 17: 3544-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.044 BindingDB Entry DOI: 10.7270/Q2ZS2W6F
					More data for this Ligand-Target Pair
Neutrophil 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	Article	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against Human leukocyte elastase (HLE)				Bioorg Med Chem Lett 5: 331-336 (1995) Article DOI: 10.1016/0960-894X(95)00030-W BindingDB Entry DOI: 10.7270/Q2SX6D60
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50212149 (6-(3-hydroxyphenyl)-5-(4-(2-(piperidin-1-yl)ethoxy...) Show SMILES Oc1cccc(c1)-c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C29H29NO4/c31-23-6-4-5-21(19-23)27-13-7-22-20-24(32)8-14-28(22)29(27)34-26-11-9-25(10-12-26)33-18-17-30-15-2-1-3-16-30/h4-14,19-20,31-32H,1-3,15-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human recombinant ERalpha				Bioorg Med Chem Lett 17: 3544-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.044 BindingDB Entry DOI: 10.7270/Q2ZS2W6F
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50029702 (3-Chloro-2-(4-isopropyl-1,1,3-trioxo-1,3-dihydro-1...) Show SMILES CC(C)c1cccc2c1C(=O)N(COc1nc3ccccn3c(=O)c1Cl)S2(=O)=O Show InChI InChI=1S/C19H16ClN3O5S/c1-11(2)12-6-5-7-13-15(12)18(24)23(29(13,26)27)10-28-17-16(20)19(25)22-9-4-3-8-14(22)21-17/h3-9,11H,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.210	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))	BDBM50029693 (4-Isopropyl-6-methoxy-1,1-dioxo-2-(2-oxo-2H-thioch...) Show SMILES COc1cc2c(C(=O)N(COc3cc(=O)sc4ccccc34)S2(=O)=O)c(c1)C(C)C Show InChI InChI=1S/C21H19NO6S2/c1-12(2)15-8-13(27-3)9-18-20(15)21(24)22(30(18,25)26)11-28-16-10-19(23)29-17-7-5-4-6-14(16)17/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	PubMed	0.220	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))	BDBM50285282 (2,6-Dichloro-benzoic acid 4-isopropoxy-1,1,3-triox...) Show SMILES CC(C)Oc1cccc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O Show InChI InChI=1S/C18H15Cl2NO6S/c1-10(2)27-13-7-4-8-14-16(13)17(22)21(28(14,24)25)9-26-18(23)15-11(19)5-3-6-12(15)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	Article	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Human Leukocyte Elastase (HLE) as apparent binding constant (kreact/kinact)				Bioorg Med Chem Lett 5: 105-109 (1995) Article DOI: 10.1016/0960-894X(94)00466-S BindingDB Entry DOI: 10.7270/Q2V69JJN
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM19967 (6-(4-fluorophenyl)-5-{4-[2-(piperidin-1-yl)ethoxy]...) Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C29H28FNO3/c30-23-7-4-21(5-8-23)27-14-6-22-20-24(32)9-15-28(22)29(27)34-26-12-10-25(11-13-26)33-19-18-31-16-2-1-3-17-31/h4-15,20,32H,1-3,16-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human recombinant ERalpha				Bioorg Med Chem Lett 17: 3544-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.044 BindingDB Entry DOI: 10.7270/Q2ZS2W6F
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50212160 (3-(6-hydroxy-1-(4-(2-(piperidin-1-yl)ethoxy)phenox...) Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1cccc(c1)C#N Show InChI InChI=1S/C30H28N2O3/c31-21-22-5-4-6-23(19-22)28-13-7-24-20-25(33)8-14-29(24)30(28)35-27-11-9-26(10-12-27)34-18-17-32-15-2-1-3-16-32/h4-14,19-20,33H,1-3,15-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from human recombinant ERalpha				Bioorg Med Chem Lett 17: 3544-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.044 BindingDB Entry DOI: 10.7270/Q2ZS2W6F
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM19967 (6-(4-fluorophenyl)-5-{4-[2-(piperidin-1-yl)ethoxy]...) Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C29H28FNO3/c30-23-7-4-21(5-8-23)27-14-6-22-20-24(32)9-15-28(22)29(27)34-26-12-10-25(11-13-26)33-19-18-31-16-2-1-3-17-31/h4-15,20,32H,1-3,16-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.25	-54.3	n/a	n/a	3.18	n/a	n/a	7.5	22
Lilly Research Laboratories					Assay Description The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...				J Med Chem 48: 6772-5 (2005) Article DOI: 10.1021/jm050723z BindingDB Entry DOI: 10.7270/Q2RR1WHW
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50029714 (2-(4-Isopropyl-6-methoxy-1,1,3-trioxo-1,3-dihydro-...) Show SMILES COc1cc2c(C(=O)N(COc3nc4ccccn4c(=O)c3C)S2(=O)=O)c(c1)C(C)C Show InChI InChI=1S/C21H21N3O6S/c1-12(2)15-9-14(29-4)10-16-18(15)21(26)24(31(16,27)28)11-30-19-13(3)20(25)23-8-6-5-7-17(23)22-19/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	PubMed	0.25	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))	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	Article	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Evaluated for inhibitory activity against Human leukocyte elastase (HLE)				Bioorg Med Chem Lett 5: 331-336 (1995) Article DOI: 10.1016/0960-894X(95)00030-W BindingDB Entry DOI: 10.7270/Q2SX6D60
					More data for this Ligand-Target Pair

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