Compile Data Set for Download or QSAR

Found 28 hits with Last Name = 'possanza' and Initial = 'g'   

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
Prostaglandin G/H synthase 1/2 (Homo sapiens (Human))	BDBM17638 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against cyclooxygenase of human platelets was determined				J Med Chem 30: 726-9 (1987) BindingDB Entry DOI: 10.7270/Q2Q81G93
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neutrophil elastase (Homo sapiens (Human))	BDBM50004182 (2-Acetylamino-6-(4-{2-[(2-benzyloxycarbonylamino-3...) Show SMILES COC(=O)[C@H](CCCCNC(=O)C(F)(F)C(=O)C(NC(=O)CN(C1Cc2ccccc2C1)C(=O)C(NC(=O)OCc1ccccc1)C(C)C)C(C)C)NC(C)=O Show InChI InChI=1S/C40H53F2N5O9/c1-24(2)33(35(50)40(41,42)38(53)43-19-13-12-18-31(37(52)55-6)44-26(5)48)45-32(49)22-47(30-20-28-16-10-11-17-29(28)21-30)36(51)34(25(3)4)46-39(54)56-23-27-14-8-7-9-15-27/h7-11,14-17,24-25,30-31,33-34H,12-13,18-23H2,1-6H3,(H,43,53)(H,44,48)(H,45,49)(H,46,54)/t31-,33?,34?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human leukocyte elastase (HLE) at pH 7.5				J Med Chem 35: 4795-808 (1993) BindingDB Entry DOI: 10.7270/Q2HX1BM5
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50070289 (2-Benzyl-6-chloro-3-hydroxy-4-(propane-2-sulfonyl)...) Show SMILES CC(C)S(=O)(=O)c1c(O)n(Cc2ccccc2)c(=O)c2ccc(Cl)cc12 Show InChI InChI=1S/C19H18ClNO4S/c1-12(2)26(24,25)17-16-10-14(20)8-9-15(16)18(22)21(19(17)23)11-13-6-4-3-5-7-13/h3-10,12,23H,11H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Concentration that caused a 50% decrease in the maximal inhibition of Prostaglandin G/H synthase 2 activity as measured by PGE-2 production.				Bioorg Med Chem Lett 8: 1181-6 (1999) BindingDB Entry DOI: 10.7270/Q2TQ60PJ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50004192 (CHEMBL344981 | [2-(4-{2-[(2-Benzyloxycarbonylamino...) Show SMILES CCOC(=O)CNC(=O)CNC(=O)C(F)(F)C(=O)C(NC(=O)CN(C1Cc2ccccc2C1)C(=O)C(NC(=O)OCc1ccccc1)C(C)C)C(C)C Show InChI InChI=1S/C37H47F2N5O9/c1-6-52-30(47)19-40-28(45)18-41-35(50)37(38,39)33(48)31(22(2)3)42-29(46)20-44(27-16-25-14-10-11-15-26(25)17-27)34(49)32(23(4)5)43-36(51)53-21-24-12-8-7-9-13-24/h7-15,22-23,27,31-32H,6,16-21H2,1-5H3,(H,40,45)(H,41,50)(H,42,46)(H,43,51)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human leukocyte elastase (HLE) at pH 7.5				J Med Chem 35: 4795-808 (1993) BindingDB Entry DOI: 10.7270/Q2HX1BM5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50004184 (4-(4-Chloro-benzenesulfonylaminocarbonyl)-N-((S)-1...) Show SMILES CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C1Cc2ccccc2C1 Show InChI InChI=1S/C36H38ClF3N4O7S/c1-20(2)30(32(46)36(38,39)40)41-29(45)19-44(27-17-24-7-5-6-8-25(24)18-27)35(49)31(21(3)4)42-33(47)22-9-11-23(12-10-22)34(48)43-52(50,51)28-15-13-26(37)14-16-28/h5-16,20-21,27,30-31H,17-19H2,1-4H3,(H,41,45)(H,42,47)(H,43,48)/t30?,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human leukocyte elastase (HLE) at pH 7.5				J Med Chem 35: 4795-808 (1993) BindingDB Entry DOI: 10.7270/Q2HX1BM5
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50070287 (2-(4-Fluoro-benzyl)-3-hydroxy-4-(propane-2-sulfony...) Show SMILES CC(C)S(=O)(=O)c1c(O)n(Cc2ccc(F)cc2)c(=O)c2ccccc12 Show InChI InChI=1S/C19H18FNO4S/c1-12(2)26(24,25)17-15-5-3-4-6-16(15)18(22)21(19(17)23)11-13-7-9-14(20)10-8-13/h3-10,12,23H,11H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Concentration that caused a 50% decrease in the maximal inhibition of Prostaglandin G/H synthase 2 activity as measured by PGE-2 production; Imax=84%				Bioorg Med Chem Lett 8: 1181-6 (1999) BindingDB Entry DOI: 10.7270/Q2TQ60PJ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50070291 (6-Chloro-2-(3,4-difluoro-benzyl)-3-hydroxy-4-(prop...) Show SMILES CC(C)S(=O)(=O)c1c(O)n(Cc2ccc(F)c(F)c2)c(=O)c2ccc(Cl)cc12 Show InChI InChI=1S/C19H16ClF2NO4S/c1-10(2)28(26,27)17-14-8-12(20)4-5-13(14)18(24)23(19(17)25)9-11-3-6-15(21)16(22)7-11/h3-8,10,25H,9H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Concentration that caused a 50% decrease in the maximal inhibition of Prostaglandin G/H synthase 2 activity as measured by PGE-2 production.				Bioorg Med Chem Lett 8: 1181-6 (1999) BindingDB Entry DOI: 10.7270/Q2TQ60PJ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50004190 (3-Acetoxymethyl-7-methyl-5,5,8-trioxo-5lambda*6*-t...) Show SMILES C[C@H]1[C@H]2N(C1=O)C(C(=O)OC(C)(C)C)=C(COC(C)=O)CS2(=O)=O |t:14| Show InChI InChI=1S/C15H21NO7S/c1-8-12(18)16-11(14(19)23-15(3,4)5)10(6-22-9(2)17)7-24(20,21)13(8)16/h8,13H,6-7H2,1-5H3/t8-,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	107	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human leukocyte elastase (HLE) at pH 7.5				J Med Chem 35: 4795-808 (1993) BindingDB Entry DOI: 10.7270/Q2HX1BM5
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50070286 (4-Benzenesulfonyl-2-benzyl-3-hydroxy-2H-isoquinoli...) Show SMILES Oc1c(c2ccccc2c(=O)n1Cc1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C22H17NO4S/c24-21-19-14-8-7-13-18(19)20(28(26,27)17-11-5-2-6-12-17)22(25)23(21)15-16-9-3-1-4-10-16/h1-14,25H,15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Concentration that caused a 50% decrease in the maximal inhibition of Prostaglandin G/H synthase 2 activity as measured by PGE-2 production.				Bioorg Med Chem Lett 8: 1181-6 (1999) BindingDB Entry DOI: 10.7270/Q2TQ60PJ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50056998 (4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...) Show SMILES CN1C(C(=O)Nc2ncc(C)s2)=C(O)c2ccccc2S1(=O)=O |t:12| Show InChI InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Concentration that caused a 50% decrease in the maximal inhibition of Prostaglandin G/H synthase 2 activity as measured by PGE-2 production.				Bioorg Med Chem Lett 8: 1181-6 (1999) BindingDB Entry DOI: 10.7270/Q2TQ60PJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50070288 (2-(3,4-Difluoro-benzyl)-3-hydroxy-4-(propane-2-sul...) Show SMILES CC(C)S(=O)(=O)c1c(O)n(Cc2ccc(F)c(F)c2)c(=O)c2ccccc12 Show InChI InChI=1S/C19H17F2NO4S/c1-11(2)27(25,26)17-13-5-3-4-6-14(13)18(23)22(19(17)24)10-12-7-8-15(20)16(21)9-12/h3-9,11,24H,10H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Concentration that caused a 50% decrease in the maximal inhibition of Prostaglandin G/H synthase 2 activity as measured by PGE-2 production; Imax=84%				Bioorg Med Chem Lett 8: 1181-6 (1999) BindingDB Entry DOI: 10.7270/Q2TQ60PJ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50070287 (2-(4-Fluoro-benzyl)-3-hydroxy-4-(propane-2-sulfony...) Show SMILES CC(C)S(=O)(=O)c1c(O)n(Cc2ccc(F)cc2)c(=O)c2ccccc12 Show InChI InChI=1S/C19H18FNO4S/c1-12(2)26(24,25)17-15-5-3-4-6-16(15)18(22)21(19(17)23)11-13-7-9-14(20)10-8-13/h3-10,12,23H,11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Concentration that caused a 50% decrease in the maximal inhibition of Prostaglandin G/H synthase 1 activity as measured by PGE-2 production.				Bioorg Med Chem Lett 8: 1181-6 (1999) BindingDB Entry DOI: 10.7270/Q2TQ60PJ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50070290 (2-Benzyl-3-hydroxy-4-(propane-2-sulfonyl)-2H-isoqu...) Show SMILES CC(C)S(=O)(=O)c1c(O)n(Cc2ccccc2)c(=O)c2ccccc12 Show InChI InChI=1S/C19H19NO4S/c1-13(2)25(23,24)17-15-10-6-7-11-16(15)18(21)20(19(17)22)12-14-8-4-3-5-9-14/h3-11,13,22H,12H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Concentration that caused a 50% decrease in the maximal inhibition of Prostaglandin G/H synthase 2 activity as measured by PGE-2 production.				Bioorg Med Chem Lett 8: 1181-6 (1999) BindingDB Entry DOI: 10.7270/Q2TQ60PJ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50070290 (2-Benzyl-3-hydroxy-4-(propane-2-sulfonyl)-2H-isoqu...) Show SMILES CC(C)S(=O)(=O)c1c(O)n(Cc2ccccc2)c(=O)c2ccccc12 Show InChI InChI=1S/C19H19NO4S/c1-13(2)25(23,24)17-15-10-6-7-11-16(15)18(21)20(19(17)22)12-14-8-4-3-5-9-14/h3-11,13,22H,12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Concentration that caused a 50% decrease in the maximal inhibition of Prostaglandin G/H synthase 1 activity as measured by PGE-2 production.				Bioorg Med Chem Lett 8: 1181-6 (1999) BindingDB Entry DOI: 10.7270/Q2TQ60PJ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50004187 (((S)-1-{Indan-2-yl-[(3,3,3-trifluoro-1-isopropyl-2...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C1Cc2ccccc2C1 Show InChI InChI=1S/C30H36F3N3O5/c1-18(2)25(27(38)30(31,32)33)34-24(37)16-36(23-14-21-12-8-9-13-22(21)15-23)28(39)26(19(3)4)35-29(40)41-17-20-10-6-5-7-11-20/h5-13,18-19,23,25-26H,14-17H2,1-4H3,(H,34,37)(H,35,40)/t25?,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	365	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human leukocyte elastase (HLE) at pH 7.5				J Med Chem 35: 4795-808 (1993) BindingDB Entry DOI: 10.7270/Q2HX1BM5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50004185 (4-[2-({2-[4-(4-Chloro-benzenesulfonylaminocarbonyl...) Show SMILES CCOC(=O)C(F)(F)C(=O)C(NC(=O)CN(C1Cc2ccccc2C1)C(=O)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(C)C)C(C)C Show InChI InChI=1S/C39H43ClF2N4O9S/c1-6-55-38(52)39(41,42)34(48)32(22(2)3)43-31(47)21-46(29-19-26-9-7-8-10-27(26)20-29)37(51)33(23(4)5)44-35(49)24-11-13-25(14-12-24)36(50)45-56(53,54)30-17-15-28(40)16-18-30/h7-18,22-23,29,32-33H,6,19-21H2,1-5H3,(H,43,47)(H,44,49)(H,45,50)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	404	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human leukocyte elastase (HLE) at pH 7.5				J Med Chem 35: 4795-808 (1993) BindingDB Entry DOI: 10.7270/Q2HX1BM5
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50070288 (2-(3,4-Difluoro-benzyl)-3-hydroxy-4-(propane-2-sul...) Show SMILES CC(C)S(=O)(=O)c1c(O)n(Cc2ccc(F)c(F)c2)c(=O)c2ccccc12 Show InChI InChI=1S/C19H17F2NO4S/c1-11(2)27(25,26)17-13-5-3-4-6-14(13)18(23)22(19(17)24)10-12-7-8-15(20)16(21)9-12/h3-9,11,24H,10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Concentration that caused a 50% decrease in the maximal inhibition of Prostaglandin G/H synthase 1 activity as measured by PGE-2 production.				Bioorg Med Chem Lett 8: 1181-6 (1999) BindingDB Entry DOI: 10.7270/Q2TQ60PJ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50004183 (4-{2-[(2-Benzyloxycarbonylamino-3-methyl-butyryl)-...) Show SMILES CCOC(=O)C(F)(F)C(=O)C(NC(=O)CN(C1Cc2ccccc2C1)C(=O)C(NC(=O)OCc1ccccc1)C(C)C)C(C)C Show InChI InChI=1S/C33H41F2N3O7/c1-6-44-31(42)33(34,35)29(40)27(20(2)3)36-26(39)18-38(25-16-23-14-10-11-15-24(23)17-25)30(41)28(21(4)5)37-32(43)45-19-22-12-8-7-9-13-22/h7-15,20-21,25,27-28H,6,16-19H2,1-5H3,(H,36,39)(H,37,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	635	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human leukocyte elastase (HLE) at pH 7.5				J Med Chem 35: 4795-808 (1993) BindingDB Entry DOI: 10.7270/Q2HX1BM5
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1/2 (Homo sapiens (Human))	BDBM50012789 (2,6-Di-tert-butyl-4-(2-pyridin-3-yl-vinyl)-phenol ...) Show SMILES CC(C)(C)c1cc(\C=C\c2cccnc2)cc(c1O)C(C)(C)C Show InChI InChI=1S/C21H27NO/c1-20(2,3)17-12-16(10-9-15-8-7-11-22-14-15)13-18(19(17)23)21(4,5)6/h7-14,23H,1-6H3/b10-9+	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory concentration required for inhibition of Prostaglandin G/H synthase				J Med Chem 32: 100-4 (1989) BindingDB Entry DOI: 10.7270/Q2CN764H
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50070286 (4-Benzenesulfonyl-2-benzyl-3-hydroxy-2H-isoquinoli...) Show SMILES Oc1c(c2ccccc2c(=O)n1Cc1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C22H17NO4S/c24-21-19-14-8-7-13-18(19)20(28(26,27)17-11-5-2-6-12-17)22(25)23(21)15-16-9-3-1-4-10-16/h1-14,25H,15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Concentration that caused a 50% decrease in the maximal inhibition of Prostaglandin G/H synthase 1 activity as measured by PGE-2 production.				Bioorg Med Chem Lett 8: 1181-6 (1999) BindingDB Entry DOI: 10.7270/Q2TQ60PJ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50070291 (6-Chloro-2-(3,4-difluoro-benzyl)-3-hydroxy-4-(prop...) Show SMILES CC(C)S(=O)(=O)c1c(O)n(Cc2ccc(F)c(F)c2)c(=O)c2ccc(Cl)cc12 Show InChI InChI=1S/C19H16ClF2NO4S/c1-10(2)28(26,27)17-14-8-12(20)4-5-13(14)18(24)23(19(17)25)9-11-3-6-15(21)16(22)7-11/h3-8,10,25H,9H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Concentration that caused a 50% decrease in the maximal inhibition of Prostaglandin G/H synthase 1 activity as measured by PGE-2 production.				Bioorg Med Chem Lett 8: 1181-6 (1999) BindingDB Entry DOI: 10.7270/Q2TQ60PJ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50070289 (2-Benzyl-6-chloro-3-hydroxy-4-(propane-2-sulfonyl)...) Show SMILES CC(C)S(=O)(=O)c1c(O)n(Cc2ccccc2)c(=O)c2ccc(Cl)cc12 Show InChI InChI=1S/C19H18ClNO4S/c1-12(2)26(24,25)17-16-10-14(20)8-9-15(16)18(22)21(19(17)23)11-13-6-4-3-5-7-13/h3-10,12,23H,11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Concentration that caused a 50% decrease in the maximal inhibition of Prostaglandin G/H synthase 1 activity as measured by PGE-2 production.				Bioorg Med Chem Lett 8: 1181-6 (1999) BindingDB Entry DOI: 10.7270/Q2TQ60PJ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50056998 (4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[e...) Show SMILES CN1C(C(=O)Nc2ncc(C)s2)=C(O)c2ccccc2S1(=O)=O |t:12| Show InChI InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Concentration that caused a 50% decrease in the maximal inhibition of Prostaglandin G/H synthase 1 activity as measured by PGE-2 production.				Bioorg Med Chem Lett 8: 1181-6 (1999) BindingDB Entry DOI: 10.7270/Q2TQ60PJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neutrophil elastase (Homo sapiens (Human))	BDBM50004189 (4-[2-({2-[4-(4-Chloro-benzenesulfonylaminocarbonyl...) Show SMILES CCOC(=O)C(F)(F)C(=O)C(CC(C)C)NC(=O)CN(C1Cc2ccccc2C1)C(=O)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(C)C Show InChI InChI=1S/C40H45ClF2N4O9S/c1-6-56-39(53)40(42,43)35(49)32(19-23(2)3)44-33(48)22-47(30-20-27-9-7-8-10-28(27)21-30)38(52)34(24(4)5)45-36(50)25-11-13-26(14-12-25)37(51)46-57(54,55)31-17-15-29(41)16-18-31/h7-18,23-24,30,32,34H,6,19-22H2,1-5H3,(H,44,48)(H,45,50)(H,46,51)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human leukocyte elastase (HLE) at pH 7.5				J Med Chem 35: 4795-808 (1993) BindingDB Entry DOI: 10.7270/Q2HX1BM5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50004188 (4-[2-({2-[4-(4-Chloro-benzenesulfonylaminocarbonyl...) Show SMILES CCOC(=O)C(F)(F)C(=O)C(Cc1ccccc1)NC(=O)CN(C1Cc2ccccc2C1)C(=O)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(C)C Show InChI InChI=1S/C43H43ClF2N4O9S/c1-4-59-42(56)43(45,46)38(52)35(22-27-10-6-5-7-11-27)47-36(51)25-50(33-23-30-12-8-9-13-31(30)24-33)41(55)37(26(2)3)48-39(53)28-14-16-29(17-15-28)40(54)49-60(57,58)34-20-18-32(44)19-21-34/h5-21,26,33,35,37H,4,22-25H2,1-3H3,(H,47,51)(H,48,53)(H,49,54)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human leukocyte elastase (HLE) at pH 7.5				J Med Chem 35: 4795-808 (1993) BindingDB Entry DOI: 10.7270/Q2HX1BM5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50004186 (4-{2-[(2-Benzyloxycarbonylamino-3-methyl-butyryl)-...) Show SMILES CC(C)C(NC(=O)OCc1ccccc1)C(=O)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)C(O)=O)C1Cc2ccccc2C1 Show InChI InChI=1S/C31H37F2N3O7/c1-18(2)25(27(38)31(32,33)29(40)41)34-24(37)16-36(23-14-21-12-8-9-13-22(21)15-23)28(39)26(19(3)4)35-30(42)43-17-20-10-6-5-7-11-20/h5-13,18-19,23,25-26H,14-17H2,1-4H3,(H,34,37)(H,35,42)(H,40,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human leukocyte elastase (HLE) at pH 7.5				J Med Chem 35: 4795-808 (1993) BindingDB Entry DOI: 10.7270/Q2HX1BM5
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50004191 (4-{2-[(2-Benzyloxycarbonylamino-3-methyl-butyryl)-...) Show SMILES CCOC(=O)C(F)(F)C(=O)C(CC(C)C)NC(=O)CN(C1Cc2ccccc2C1)C(=O)C(NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C34H43F2N3O7/c1-6-45-32(43)34(35,36)30(41)27(16-21(2)3)37-28(40)19-39(26-17-24-14-10-11-15-25(24)18-26)31(42)29(22(4)5)38-33(44)46-20-23-12-8-7-9-13-23/h7-15,21-22,26-27,29H,6,16-20H2,1-5H3,(H,37,40)(H,38,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.11E+4	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human leukocyte elastase (HLE) at pH 7.5				J Med Chem 35: 4795-808 (1993) BindingDB Entry DOI: 10.7270/Q2HX1BM5
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1/2 (Homo sapiens (Human))	BDBM22360 (2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...) Show SMILES CC(=O)Oc1ccccc1C(O)=O Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against cyclooxygenase of human platelets was determined				J Med Chem 30: 726-9 (1987) BindingDB Entry DOI: 10.7270/Q2Q81G93
					More data for this Ligand-Target Pair