Compile Data Set for Download or QSAR

Found 171 hits with Last Name = 'jacober' and Initial = 's'   

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
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50116391 (2-(2,6-Dichloro-phenylamino)-6,7-dimethyl-1,8-dihy...) Show SMILES Cc1[nH]c(=O)c2c3nc(Nc4c(Cl)cccc4Cl)[nH]c3ccc2c1C Show InChI InChI=1S/C18H14Cl2N4O/c1-8-9(2)21-17(25)14-10(8)6-7-13-16(14)24-18(22-13)23-15-11(19)4-3-5-12(15)20/h3-7H,1-2H3,(H,21,25)(H2,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of c-SRC with 1 uM ATP				J Med Chem 45: 3394-405 (2002) BindingDB Entry DOI: 10.7270/Q2CJ8CTW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50116401 (6,7-Dimethyl-2-(2,4,6-trichloro-phenylamino)-1,8-d...) Show SMILES Cc1[nH]c(=O)c2c3nc(Nc4c(Cl)cc(Cl)cc4Cl)[nH]c3ccc2c1C Show InChI InChI=1S/C18H13Cl3N4O/c1-7-8(2)22-17(26)14-10(7)3-4-13-16(14)25-18(23-13)24-15-11(20)5-9(19)6-12(15)21/h3-6H,1-2H3,(H,22,26)(H2,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human p56 Lck tyrosine kinase				J Med Chem 45: 3394-405 (2002) BindingDB Entry DOI: 10.7270/Q2CJ8CTW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50116405 (6,7-Dimethyl-2-(2,4,6-tribromo-phenylamino)-1,8-di...) Show SMILES Cc1[nH]c(=O)c2c3nc(Nc4c(Br)cc(Br)cc4Br)[nH]c3ccc2c1C Show InChI InChI=1S/C18H13Br3N4O/c1-7-8(2)22-17(26)14-10(7)3-4-13-16(14)25-18(23-13)24-15-11(20)5-9(19)6-12(15)21/h3-6H,1-2H3,(H,22,26)(H2,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human p56 Lck tyrosine kinase				J Med Chem 45: 3394-405 (2002) BindingDB Entry DOI: 10.7270/Q2CJ8CTW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50116391 (2-(2,6-Dichloro-phenylamino)-6,7-dimethyl-1,8-dihy...) Show SMILES Cc1[nH]c(=O)c2c3nc(Nc4c(Cl)cccc4Cl)[nH]c3ccc2c1C Show InChI InChI=1S/C18H14Cl2N4O/c1-8-9(2)21-17(25)14-10(8)6-7-13-16(14)24-18(22-13)23-15-11(19)4-3-5-12(15)20/h3-7H,1-2H3,(H,21,25)(H2,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human p56 Lck tyrosine kinase				J Med Chem 45: 3394-405 (2002) BindingDB Entry DOI: 10.7270/Q2CJ8CTW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50116399 (2-(2-Chloro-6-methyl-phenylamino)-6,7-dimethyl-1,8...) Show SMILES Cc1cccc(Cl)c1Nc1nc2c(ccc3c(C)c(C)[nH]c(=O)c23)[nH]1 Show InChI InChI=1S/C19H17ClN4O/c1-9-5-4-6-13(20)16(9)23-19-22-14-8-7-12-10(2)11(3)21-18(25)15(12)17(14)24-19/h4-8H,1-3H3,(H,21,25)(H2,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human p56 Lck tyrosine kinase				J Med Chem 45: 3394-405 (2002) BindingDB Entry DOI: 10.7270/Q2CJ8CTW
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50005159 (4-(4-Chloro-benzenesulfonylaminocarbonyl)-N-(2-met...) Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(CC1CCCO1)CC(=O)NC(C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C32H38ClF3N4O8S/c1-18(2)26(28(42)32(34,35)36)37-25(41)17-40(16-23-6-5-15-48-23)31(45)27(19(3)4)38-29(43)20-7-9-21(10-8-20)30(44)39-49(46,47)24-13-11-22(33)12-14-24/h7-14,18-19,23,26-27H,5-6,15-17H2,1-4H3,(H,37,41)(H,38,43)(H,39,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase				J Med Chem 35: 641-62 (1992) BindingDB Entry DOI: 10.7270/Q2K074X9
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50005147 ((S)-1-{(S)-2-[4-(4-Bromo-benzenesulfonylaminocarbo...) Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F |r| Show InChI InChI=1S/C30H34BrF3N4O7S/c1-16(2)23(25(39)30(32,33)34)35-28(42)22-6-5-15-38(22)29(43)24(17(3)4)36-26(40)18-7-9-19(10-8-18)27(41)37-46(44,45)21-13-11-20(31)12-14-21/h7-14,16-17,22-24H,5-6,15H2,1-4H3,(H,35,42)(H,36,40)(H,37,41)/t22-,23-,24?/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	38	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase				J Med Chem 35: 641-62 (1992) BindingDB Entry DOI: 10.7270/Q2K074X9
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50005166 (4-(4-Chloro-benzenesulfonylaminocarbonyl)-N-(2-met...) Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(C)CC(=O)NC(C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C28H32ClF3N4O7S/c1-15(2)22(24(38)28(30,31)32)33-21(37)14-36(5)27(41)23(16(3)4)34-25(39)17-6-8-18(9-7-17)26(40)35-44(42,43)20-12-10-19(29)11-13-20/h6-13,15-16,22-23H,14H2,1-5H3,(H,33,37)(H,34,39)(H,35,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase				J Med Chem 35: 641-62 (1992) BindingDB Entry DOI: 10.7270/Q2K074X9
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50005176 (4-{{2-[4-(4-Chloro-benzenesulfonylaminocarbonyl)-b...) Show SMILES CCOC(=O)N1CCC(CC1)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C(=O)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(C)C Show InChI InChI=1S/C35H43ClF3N5O9S/c1-6-53-34(50)43-17-15-25(16-18-43)44(19-27(45)40-28(20(2)3)30(46)35(37,38)39)33(49)29(21(4)5)41-31(47)22-7-9-23(10-8-22)32(48)42-54(51,52)26-13-11-24(36)12-14-26/h7-14,20-21,25,28-29H,6,15-19H2,1-5H3,(H,40,45)(H,41,47)(H,42,48)	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	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase				J Med Chem 35: 641-62 (1992) BindingDB Entry DOI: 10.7270/Q2K074X9
					More data for this Ligand-Target Pair
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
Neutrophil elastase (Homo sapiens (Human))	BDBM50005174 (CHEMBL435649 | N-(1-{Bicyclo[2.2.1]hept-2-yl-[(3,3...) Show SMILES CC(C)C(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)C1CC2CCC1C2 |THB:28:43:49:47.46| Show InChI InChI=1S/C34H40ClF3N4O7S/c1-18(2)28(30(44)34(36,37)38)39-27(43)17-42(26-16-20-5-6-23(26)15-20)33(47)29(19(3)4)40-31(45)21-7-9-22(10-8-21)32(46)41-50(48,49)25-13-11-24(35)12-14-25/h7-14,18-20,23,26,28-29H,5-6,15-17H2,1-4H3,(H,39,43)(H,40,45)(H,41,46)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase				J Med Chem 35: 641-62 (1992) BindingDB Entry DOI: 10.7270/Q2K074X9
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50005154 (CHEMBL423067 | {2-Methyl-1-[2-(3,3,3-trifluoro-1-i...) Show SMILES CC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C21H34F3N3O5/c1-11(2)14(16(28)21(22,23)24)25-17(29)13-9-8-10-27(13)18(30)15(12(3)4)26-19(31)32-20(5,6)7/h11-15H,8-10H2,1-7H3,(H,25,29)(H,26,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase				J Med Chem 35: 641-62 (1992) BindingDB Entry DOI: 10.7270/Q2K074X9
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50005156 (4-(4-Chloro-benzenesulfonylaminocarbonyl)-N-(1-{cy...) Show SMILES CC(C)C(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)C1CCCCCCC1 Show InChI InChI=1S/C35H44ClF3N4O7S/c1-21(2)29(31(45)35(37,38)39)40-28(44)20-43(26-10-8-6-5-7-9-11-26)34(48)30(22(3)4)41-32(46)23-12-14-24(15-13-23)33(47)42-51(49,50)27-18-16-25(36)17-19-27/h12-19,21-22,26,29-30H,5-11,20H2,1-4H3,(H,40,44)(H,41,46)(H,42,47)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase				J Med Chem 35: 641-62 (1992) BindingDB Entry DOI: 10.7270/Q2K074X9
					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))	BDBM50005152 (CHEMBL160365 | {2-Methyl-1-[3-(3,3,3-trifluoro-1-i...) Show SMILES CC(C)C(NC(=O)OCc1ccccc1)C(=O)N1Cc2ccccc2CC1C(=O)NC(C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C29H34F3N3O5/c1-17(2)23(25(36)29(30,31)32)33-26(37)22-14-20-12-8-9-13-21(20)15-35(22)27(38)24(18(3)4)34-28(39)40-16-19-10-6-5-7-11-19/h5-13,17-18,22-24H,14-16H2,1-4H3,(H,33,37)(H,34,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase				J Med Chem 35: 641-62 (1992) BindingDB Entry DOI: 10.7270/Q2K074X9
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50005178 (4-(4-Chloro-benzenesulfonylaminocarbonyl)-N-(2-met...) Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCC(=O)NC(C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C27H30ClF3N4O7S/c1-14(2)21(23(37)27(29,30)31)33-20(36)13-32-26(40)22(15(3)4)34-24(38)16-5-7-17(8-6-16)25(39)35-43(41,42)19-11-9-18(28)10-12-19/h5-12,14-15,21-22H,13H2,1-4H3,(H,32,40)(H,33,36)(H,34,38)(H,35,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase				J Med Chem 35: 641-62 (1992) BindingDB Entry DOI: 10.7270/Q2K074X9
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50005152 (CHEMBL160365 | {2-Methyl-1-[3-(3,3,3-trifluoro-1-i...) Show SMILES CC(C)C(NC(=O)OCc1ccccc1)C(=O)N1Cc2ccccc2CC1C(=O)NC(C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C29H34F3N3O5/c1-17(2)23(25(36)29(30,31)32)33-26(37)22-14-20-12-8-9-13-21(20)15-35(22)27(38)24(18(3)4)34-28(39)40-16-19-10-6-5-7-11-19/h5-13,17-18,22-24H,14-16H2,1-4H3,(H,33,37)(H,34,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase				J Med Chem 35: 641-62 (1992) BindingDB Entry DOI: 10.7270/Q2K074X9
					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	Article	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase				Bioorg Med Chem Lett 3: 773-778 (1993) Article DOI: 10.1016/S0960-894X(01)81273-7 BindingDB Entry DOI: 10.7270/Q2FJ2GQ4
					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	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase				J Med Chem 35: 641-62 (1992) BindingDB Entry DOI: 10.7270/Q2K074X9
					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
Neutrophil elastase (Homo sapiens (Human))	BDBM50005164 (4-(4-Chloro-benzenesulfonylaminocarbonyl)-N-(1-{[2...) Show SMILES COc1ccc(CCN(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C(=O)C(NC(=O)c2ccc(cc2)C(=O)NS(=O)(=O)c2ccc(Cl)cc2)C(C)C)cc1OC Show InChI InChI=1S/C37H42ClF3N4O9S/c1-21(2)31(33(47)37(39,40)41)42-30(46)20-45(18-17-23-7-16-28(53-5)29(19-23)54-6)36(50)32(22(3)4)43-34(48)24-8-10-25(11-9-24)35(49)44-55(51,52)27-14-12-26(38)13-15-27/h7-16,19,21-22,31-32H,17-18,20H2,1-6H3,(H,42,46)(H,43,48)(H,44,49)	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	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase				J Med Chem 35: 641-62 (1992) BindingDB Entry DOI: 10.7270/Q2K074X9
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50005153 (4-(4-Chloro-benzenesulfonylaminocarbonyl)-N-(1-{cy...) Show SMILES CC(C)C(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)C1CCCC1 Show InChI InChI=1S/C32H38ClF3N4O7S/c1-18(2)26(28(42)32(34,35)36)37-25(41)17-40(23-7-5-6-8-23)31(45)27(19(3)4)38-29(43)20-9-11-21(12-10-20)30(44)39-48(46,47)24-15-13-22(33)14-16-24/h9-16,18-19,23,26-27H,5-8,17H2,1-4H3,(H,37,41)(H,38,43)(H,39,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase				J Med Chem 35: 641-62 (1992) BindingDB Entry DOI: 10.7270/Q2K074X9
					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
Neutrophil elastase (Homo sapiens (Human))	BDBM50005169 (3-Acetoxymethyl-7-acetyl-5,5-dihydroxy-8-oxo-5lamb...) Show SMILES CC(=O)OCC1=C(N2C([C@H](C(C)=O)C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C |r,t:5| Show InChI InChI=1S/C16H21NO8S/c1-8(18)11-13(20)17-12(15(21)25-16(3,4)5)10(6-24-9(2)19)7-26(22,23)14(11)17/h11H,6-7H2,1-5H3,(H-,22,23)/t11-/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	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase				J Med Chem 35: 641-62 (1992) BindingDB Entry DOI: 10.7270/Q2K074X9
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50005149 (2-{2-[4-(4-Chloro-benzenesulfonylaminocarbonyl)-be...) Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1Cc2ccccc2CC1C(=O)NC(C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C35H36ClF3N4O7S/c1-19(2)28(30(44)35(37,38)39)40-33(47)27-17-23-7-5-6-8-24(23)18-43(27)34(48)29(20(3)4)41-31(45)21-9-11-22(12-10-21)32(46)42-51(49,50)26-15-13-25(36)14-16-26/h5-16,19-20,27-29H,17-18H2,1-4H3,(H,40,47)(H,41,45)(H,42,46)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase				J Med Chem 35: 641-62 (1992) BindingDB Entry DOI: 10.7270/Q2K074X9
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50005167 (4-(4-Chloro-benzenesulfonylaminocarbonyl)-N-(1-{fu...) Show SMILES CC(C)C(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)Cc1ccco1 Show InChI InChI=1S/C32H34ClF3N4O8S/c1-18(2)26(28(42)32(34,35)36)37-25(41)17-40(16-23-6-5-15-48-23)31(45)27(19(3)4)38-29(43)20-7-9-21(10-8-20)30(44)39-49(46,47)24-13-11-22(33)12-14-24/h5-15,18-19,26-27H,16-17H2,1-4H3,(H,37,41)(H,38,43)(H,39,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	138	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase				J Med Chem 35: 641-62 (1992) BindingDB Entry DOI: 10.7270/Q2K074X9
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50005168 (4-(4-Bromo-benzenesulfonylaminocarbonyl)-N-(1-{ind...) Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Br)cc1)C(=O)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C1Cc2ccccc2C1 Show InChI InChI=1S/C36H38BrF3N4O7S/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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	149	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase				J Med Chem 35: 641-62 (1992) BindingDB Entry DOI: 10.7270/Q2K074X9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50116408 (2-(2-Chloro-phenylamino)-6,7-dimethyl-1,8-dihydro-...) Show SMILES Cc1[nH]c(=O)c2c3nc(Nc4ccccc4Cl)[nH]c3ccc2c1C Show InChI InChI=1S/C18H15ClN4O/c1-9-10(2)20-17(24)15-11(9)7-8-14-16(15)23-18(22-14)21-13-6-4-3-5-12(13)19/h3-8H,1-2H3,(H,20,24)(H2,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human p56 Lck tyrosine kinase				J Med Chem 45: 3394-405 (2002) BindingDB Entry DOI: 10.7270/Q2CJ8CTW
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50005148 ((2-Methyl-1-{[(3,3,3-trifluoro-1-isopropyl-2-oxo-p...) Show SMILES CC(C)C(NC(=O)OC(C)(C)C)C(=O)NCC(=O)NC(C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C18H30F3N3O5/c1-9(2)12(14(26)18(19,20)21)23-11(25)8-22-15(27)13(10(3)4)24-16(28)29-17(5,6)7/h9-10,12-13H,8H2,1-7H3,(H,22,27)(H,23,25)(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	153	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase				J Med Chem 35: 641-62 (1992) BindingDB Entry DOI: 10.7270/Q2K074X9
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50005144 ((2-Methyl-1-{methyl-[(3,3,3-trifluoro-1-isopropyl-...) Show SMILES CC(C)C(NC(=O)OCc1ccccc1)C(=O)N(C)CC(=O)NC(C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C22H30F3N3O5/c1-13(2)17(19(30)22(23,24)25)26-16(29)11-28(5)20(31)18(14(3)4)27-21(32)33-12-15-9-7-6-8-10-15/h6-10,13-14,17-18H,11-12H2,1-5H3,(H,26,29)(H,27,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	153	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase				J Med Chem 35: 641-62 (1992) BindingDB Entry DOI: 10.7270/Q2K074X9
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50005155 ((1-{Cyclopentyl-[(3,3,3-trifluoro-1-isopropyl-2-ox...) Show SMILES CC(C)C(NC(=O)OCc1ccccc1)C(=O)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C1CCCC1 Show InChI InChI=1S/C26H36F3N3O5/c1-16(2)21(23(34)26(27,28)29)30-20(33)14-32(19-12-8-9-13-19)24(35)22(17(3)4)31-25(36)37-15-18-10-6-5-7-11-18/h5-7,10-11,16-17,19,21-22H,8-9,12-15H2,1-4H3,(H,30,33)(H,31,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	156	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase				J Med Chem 35: 641-62 (1992) BindingDB Entry DOI: 10.7270/Q2K074X9
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50005154 (CHEMBL423067 | {2-Methyl-1-[2-(3,3,3-trifluoro-1-i...) Show SMILES CC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C(F)(F)F Show InChI InChI=1S/C21H34F3N3O5/c1-11(2)14(16(28)21(22,23)24)25-17(29)13-9-8-10-27(13)18(30)15(12(3)4)26-19(31)32-20(5,6)7/h11-15H,8-10H2,1-7H3,(H,25,29)(H,26,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	172	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase				J Med Chem 35: 641-62 (1992) BindingDB Entry DOI: 10.7270/Q2K074X9
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50005145 (4-(4-Chloro-benzenesulfonylaminocarbonyl)-N-(1-{cy...) Show SMILES CC(C)C(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)C1CCCCCC1 Show InChI InChI=1S/C34H42ClF3N4O7S/c1-20(2)28(30(44)34(36,37)38)39-27(43)19-42(25-9-7-5-6-8-10-25)33(47)29(21(3)4)40-31(45)22-11-13-23(14-12-22)32(46)41-50(48,49)26-17-15-24(35)16-18-26/h11-18,20-21,25,28-29H,5-10,19H2,1-4H3,(H,39,43)(H,40,45)(H,41,46)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	175	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase				J Med Chem 35: 641-62 (1992) BindingDB Entry DOI: 10.7270/Q2K074X9
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50005175 (CHEMBL159116 | N-(1-{Benzyl-[(3,3,3-trifluoro-1-is...) Show SMILES CC(C)C(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)Cc1ccccc1 Show InChI InChI=1S/C34H36ClF3N4O7S/c1-20(2)28(30(44)34(36,37)38)39-27(43)19-42(18-22-8-6-5-7-9-22)33(47)29(21(3)4)40-31(45)23-10-12-24(13-11-23)32(46)41-50(48,49)26-16-14-25(35)15-17-26/h5-17,20-21,28-29H,18-19H2,1-4H3,(H,39,43)(H,40,45)(H,41,46)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	217	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase				J Med Chem 35: 641-62 (1992) BindingDB Entry DOI: 10.7270/Q2K074X9
					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	Article	n/a	n/a	365	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase				Bioorg Med Chem Lett 3: 773-778 (1993) Article DOI: 10.1016/S0960-894X(01)81273-7 BindingDB Entry DOI: 10.7270/Q2FJ2GQ4
					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))	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	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase				J Med Chem 35: 641-62 (1992) BindingDB Entry DOI: 10.7270/Q2K074X9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50116398 (2-(2,6-Dichloro-phenylamino)-1,6,7,8-tetrahydro-im...) Show SMILES Clc1cccc(Cl)c1Nc1nc2ccc3CCNC(=O)c3c2[nH]1 Show InChI InChI=1S/C16H12Cl2N4O/c17-9-2-1-3-10(18)13(9)21-16-20-11-5-4-8-6-7-19-15(23)12(8)14(11)22-16/h1-5H,6-7H2,(H,19,23)(H2,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human p56 Lck tyrosine kinase				J Med Chem 45: 3394-405 (2002) BindingDB Entry DOI: 10.7270/Q2CJ8CTW
					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
Neutrophil elastase (Homo sapiens (Human))	BDBM50005170 (CHEMBL158647 | N-{4-[(1-{Indan-2-yl-[(3,3,3-triflu...) Show SMILES CCOC(=O)CCC(=O)Nc1nc(cs1)C(=N/OC)\C(=O)NC(C(C)C)C(=O)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C1Cc2ccccc2C1 Show InChI InChI=1S/C34H43F3N6O8S/c1-7-51-26(46)13-12-24(44)40-33-38-23(17-52-33)29(42-50-6)31(48)41-28(19(4)5)32(49)43(22-14-20-10-8-9-11-21(20)15-22)16-25(45)39-27(18(2)3)30(47)34(35,36)37/h8-11,17-19,22,27-28H,7,12-16H2,1-6H3,(H,39,45)(H,41,48)(H,38,40,44)/b42-29+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	452	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase				J Med Chem 35: 641-62 (1992) BindingDB Entry DOI: 10.7270/Q2K074X9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50116402 (2-(2,6-Dichloro-phenylamino)-6,6-dimethyl-1,6-dihy...) Show SMILES CC1(C)C(=O)NC(=O)c2c1ccc1nc(Nc3c(Cl)cccc3Cl)[nH]c21 Show InChI InChI=1S/C18H14Cl2N4O2/c1-18(2)8-6-7-11-14(12(8)15(25)24-16(18)26)23-17(21-11)22-13-9(19)4-3-5-10(13)20/h3-7H,1-2H3,(H2,21,22,23)(H,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human p56 Lck tyrosine kinase				J Med Chem 45: 3394-405 (2002) BindingDB Entry DOI: 10.7270/Q2CJ8CTW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50116410 (2-(2,6-Dimethyl-phenylamino)-6,6-dimethyl-1,6-dihy...) Show SMILES Cc1cccc(C)c1Nc1nc2ccc3c(C(=O)NC(=O)C3(C)C)c2[nH]1 Show InChI InChI=1S/C20H20N4O2/c1-10-6-5-7-11(2)15(10)22-19-21-13-9-8-12-14(16(13)23-19)17(25)24-18(26)20(12,3)4/h5-9H,1-4H3,(H2,21,22,23)(H,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human p56 Lck tyrosine kinase				J Med Chem 45: 3394-405 (2002) BindingDB Entry DOI: 10.7270/Q2CJ8CTW
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50005158 (4-{(2-Benzyloxycarbonylamino-3-methyl-butyryl)-[(3...) Show SMILES CCOC(=O)N1CCC(CC1)N(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C(=O)C(NC(=O)OCc1ccccc1)C(C)C Show InChI InChI=1S/C29H41F3N4O7/c1-6-42-28(41)35-14-12-21(13-15-35)36(16-22(37)33-23(18(2)3)25(38)29(30,31)32)26(39)24(19(4)5)34-27(40)43-17-20-10-8-7-9-11-20/h7-11,18-19,21,23-24H,6,12-17H2,1-5H3,(H,33,37)(H,34,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	507	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase				J Med Chem 35: 641-62 (1992) BindingDB Entry DOI: 10.7270/Q2K074X9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50116397 (6,6-Dimethyl-2-(2,4,6-tribromo-phenylamino)-1,6-di...) Show SMILES CC1(C)C(=O)NC(=O)c2c1ccc1nc(Nc3c(Br)cc(Br)cc3Br)[nH]c21 Show InChI InChI=1S/C18H13Br3N4O2/c1-18(2)8-3-4-11-14(12(8)15(26)25-16(18)27)24-17(22-11)23-13-9(20)5-7(19)6-10(13)21/h3-6H,1-2H3,(H2,22,23,24)(H,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human p56 Lck tyrosine kinase				J Med Chem 45: 3394-405 (2002) BindingDB Entry DOI: 10.7270/Q2CJ8CTW
					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
Neutrophil elastase (Homo sapiens (Human))	BDBM50005177 ((1-{[2-(3,4-Dimethoxy-phenyl)-ethyl]-[(3,3,3-trifl...) Show SMILES COc1ccc(CCN(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)C(=O)C(NC(=O)OCc2ccccc2)C(C)C)cc1OC Show InChI InChI=1S/C31H40F3N3O7/c1-19(2)26(28(39)31(32,33)34)35-25(38)17-37(15-14-21-12-13-23(42-5)24(16-21)43-6)29(40)27(20(3)4)36-30(41)44-18-22-10-8-7-9-11-22/h7-13,16,19-20,26-27H,14-15,17-18H2,1-6H3,(H,35,38)(H,36,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	693	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase				J Med Chem 35: 641-62 (1992) BindingDB Entry DOI: 10.7270/Q2K074X9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50116406 (6,6-Dimethyl-2-(2,4,6-trichloro-phenylamino)-1,6-d...) Show SMILES CC1(C)C(=O)NC(=O)c2c1ccc1nc(Nc3c(Cl)cc(Cl)cc3Cl)[nH]c21 Show InChI InChI=1S/C18H13Cl3N4O2/c1-18(2)8-3-4-11-14(12(8)15(26)25-16(18)27)24-17(22-11)23-13-9(20)5-7(19)6-10(13)21/h3-6H,1-2H3,(H2,22,23,24)(H,25,26,27)	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 Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human p56 Lck tyrosine kinase				J Med Chem 45: 3394-405 (2002) BindingDB Entry DOI: 10.7270/Q2CJ8CTW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50116409 (2-(2-Chloro-6-methyl-phenylamino)-6,6-dimethyl-1,6...) Show SMILES Cc1cccc(Cl)c1Nc1nc2ccc3c(C(=O)NC(=O)C3(C)C)c2[nH]1 Show InChI InChI=1S/C19H17ClN4O2/c1-9-5-4-6-11(20)14(9)22-18-21-12-8-7-10-13(15(12)23-18)16(25)24-17(26)19(10,2)3/h4-8H,1-3H3,(H2,21,22,23)(H,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human p56 Lck tyrosine kinase				J Med Chem 45: 3394-405 (2002) BindingDB Entry DOI: 10.7270/Q2CJ8CTW
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50005151 (4-(4-Chloro-benzenesulfonylaminocarbonyl)-N-(1-{in...) Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N(CC(=O)NC(C)C(=O)C(F)(F)F)C1Cc2ccccc2C1 Show InChI InChI=1S/C34H34ClF3N4O7S/c1-19(2)29(40-31(45)21-8-10-22(11-9-21)32(46)41-50(48,49)27-14-12-25(35)13-15-27)33(47)42(26-16-23-6-4-5-7-24(23)17-26)18-28(43)39-20(3)30(44)34(36,37)38/h4-15,19-20,26,29H,16-18H2,1-3H3,(H,39,43)(H,40,45)(H,41,46)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	817	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against human leukocyte elastase				J Med Chem 35: 641-62 (1992) BindingDB Entry DOI: 10.7270/Q2K074X9
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50137196 (6-Phenyl-thieno[3,2-d]pyrimidin-4-ylamine | CHEMBL...) Show SMILES Nc1ncnc2cc(sc12)-c1ccccc1 Show InChI InChI=1S/C12H9N3S/c13-12-11-9(14-7-15-12)6-10(16-11)8-4-2-1-3-5-8/h1-7H,(H2,13,14,15)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	970	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of IKK beta				J Med Chem 49: 2898-908 (2006) Article DOI: 10.1021/jm0510979 BindingDB Entry DOI: 10.7270/Q2TQ614S
					More data for this Ligand-Target Pair

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