Compile Data Set for Download or QSAR

Found 5513 hits Enz. Inhib. hit(s) with Target = 'Chymotrypsin'   

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
Chymotrypsin-C (Homo sapiens (Human))	BDBM50018175 (CHEMBL22389 | N-{1-Benzyl-2-[(pyridine-3-carbonyl)...) Show SMILES O=C(NN=CC(Cc1ccccc1)NC(=O)c1ccccc1)c1cccnc1 |w:3.2| Show InChI InChI=1S/C22H20N4O2/c27-21(18-10-5-2-6-11-18)25-20(14-17-8-3-1-4-9-17)16-24-26-22(28)19-12-7-13-23-15-19/h1-13,15-16,20H,14H2,(H,25,27)(H,26,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Amherst College Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-catalyzed hydrolysis of BzArg p-nitroanilide by compound at pH 5				J Med Chem 32: 1253-9 (1989) BindingDB Entry DOI: 10.7270/Q2K64H2K
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM50018174 (CHEMBL283109 | N-{2-[(2-Acetylamino-propionyl)-hyd...) Show SMILES C[C@H](NC(C)=O)C(=O)NN=CC(Cc1ccccc1)NC(=O)c1ccccc1 |w:9.8| Show InChI InChI=1S/C21H24N4O3/c1-15(23-16(2)26)20(27)25-22-14-19(13-17-9-5-3-6-10-17)24-21(28)18-11-7-4-8-12-18/h3-12,14-15,19H,13H2,1-2H3,(H,23,26)(H,24,28)(H,25,27)/t15-,19?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Amherst College Curated by ChEMBL					Assay Description Inhibition of papain-catalyzed hydrolysis of BzArg p-nitroanilide by compound at pH 5.5				J Med Chem 32: 1253-9 (1989) BindingDB Entry DOI: 10.7270/Q2K64H2K
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM50018175 (CHEMBL22389 | N-{1-Benzyl-2-[(pyridine-3-carbonyl)...) Show SMILES O=C(NN=CC(Cc1ccccc1)NC(=O)c1ccccc1)c1cccnc1 |w:3.2| Show InChI InChI=1S/C22H20N4O2/c27-21(18-10-5-2-6-11-18)25-20(14-17-8-3-1-4-9-17)16-24-26-22(28)19-12-7-13-23-15-19/h1-13,15-16,20H,14H2,(H,25,27)(H,26,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Amherst College Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-catalyzed hydrolysis of BzArg p-nitroanilide by compound at pH 7.8				J Med Chem 32: 1253-9 (1989) BindingDB Entry DOI: 10.7270/Q2K64H2K
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM50018173 (CHEMBL22745 | N-{2-[(2-Acetylamino-propionyl)-hydr...) Show SMILES C[C@H](NC(C)=O)C(=O)NN=CCNC(=O)c1ccccc1 |w:10.10| Show InChI InChI=1S/C14H18N4O3/c1-10(17-11(2)19)13(20)18-16-9-8-15-14(21)12-6-4-3-5-7-12/h3-7,9-10H,8H2,1-2H3,(H,15,21)(H,17,19)(H,18,20)/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	>8.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Amherst College Curated by ChEMBL					Assay Description Inhibition of chymotrypsin-catalyzed hydrolysis of BzArg p-nitroanilide by compound at pH 5				J Med Chem 32: 1253-9 (1989) BindingDB Entry DOI: 10.7270/Q2K64H2K
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM50018174 (CHEMBL283109 | N-{2-[(2-Acetylamino-propionyl)-hyd...) Show SMILES C[C@H](NC(C)=O)C(=O)NN=CC(Cc1ccccc1)NC(=O)c1ccccc1 |w:9.8| Show InChI InChI=1S/C21H24N4O3/c1-15(23-16(2)26)20(27)25-22-14-19(13-17-9-5-3-6-10-17)24-21(28)18-11-7-4-8-12-18/h3-12,14-15,19H,13H2,1-2H3,(H,23,26)(H,24,28)(H,25,27)/t15-,19?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Amherst College Curated by ChEMBL					Assay Description Initial rate of reaction between Chymotrypsinogen and BzArg p-nitro-anilide in the presence of 400 microM of the compound at pH 7				J Med Chem 32: 1253-9 (1989) BindingDB Entry DOI: 10.7270/Q2K64H2K
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM113248 (US9695194, 7) Show SMILES Clc1ccccc1-c1nc2cc3OCCCOc3cc2c(=O)o1 Show InChI InChI=1S/C17H12ClNO4/c18-12-5-2-1-4-10(12)16-19-13-9-15-14(21-6-3-7-22-15)8-11(13)17(20)23-16/h1-2,4-5,8-9H,3,6-7H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	<100	<-41.6	n/a	n/a	n/a	n/a	n/a	7.2	37
SIXERA PHARMA AB US Patent					Assay Description Materials: Chymotrypsin, bovine, 25 ug (Roche, sequence grade), Substrate S-2586 (Chromogenics, cat. no. 82 08 94). Chymotrypsin activity was determi...				US Patent US9695194 (2017) BindingDB Entry DOI: 10.7270/Q2CN723D
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM113283 (US9695194, 8) Show SMILES COc1ccc(c(OC)c1)-c1nc2cc3OCCCOc3cc2c(=O)o1 Show InChI InChI=1S/C19H17NO6/c1-22-11-4-5-12(15(8-11)23-2)18-20-14-10-17-16(24-6-3-7-25-17)9-13(14)19(21)26-18/h4-5,8-10H,3,6-7H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	<100	<-41.6	n/a	n/a	n/a	n/a	n/a	7.2	37
SIXERA PHARMA AB US Patent					Assay Description Materials: Chymotrypsin, bovine, 25 ug (Roche, sequence grade), Substrate S-2586 (Chromogenics, cat. no. 82 08 94). Chymotrypsin activity was determi...				US Patent US9695194 (2017) BindingDB Entry DOI: 10.7270/Q2CN723D
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM113296 (US9695194, 13) Show SMILES COc1ccccc1-c1nc2cc3OCCOc3cc2c(=O)o1 Show InChI InChI=1S/C17H13NO5/c1-20-13-5-3-2-4-10(13)16-18-12-9-15-14(21-6-7-22-15)8-11(12)17(19)23-16/h2-5,8-9H,6-7H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	<100	<-41.6	n/a	n/a	n/a	n/a	n/a	7.2	37
SIXERA PHARMA AB US Patent					Assay Description Materials: Chymotrypsin, bovine, 25 ug (Roche, sequence grade), Substrate S-2586 (Chromogenics, cat. no. 82 08 94). Chymotrypsin activity was determi...				US Patent US9695194 (2017) BindingDB Entry DOI: 10.7270/Q2CN723D
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM113119 (US9695194, 6) Show SMILES COc1ccccc1-c1nc2cc3OCCCOc3cc2c(=O)o1 Show InChI InChI=1S/C18H15NO5/c1-21-14-6-3-2-5-11(14)17-19-13-10-16-15(22-7-4-8-23-16)9-12(13)18(20)24-17/h2-3,5-6,9-10H,4,7-8H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	<100	<-41.6	n/a	n/a	n/a	n/a	n/a	7.2	37
SIXERA PHARMA AB US Patent					Assay Description Materials: Chymotrypsin, bovine, 25 ug (Roche, sequence grade), Substrate S-2586 (Chromogenics, cat. no. 82 08 94). Chymotrypsin activity was determi...				US Patent US9695194 (2017) BindingDB Entry DOI: 10.7270/Q2CN723D
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM113297 (US9695194, 14) Show SMILES CS(=O)(=O)c1ccccc1-c1nc2cc3OCCOc3cc2c(=O)o1 Show InChI InChI=1S/C17H13NO6S/c1-25(20,21)15-5-3-2-4-10(15)16-18-12-9-14-13(22-6-7-23-14)8-11(12)17(19)24-16/h2-5,8-9H,6-7H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	<100	<-41.6	n/a	n/a	n/a	n/a	n/a	7.2	37
SIXERA PHARMA AB US Patent					Assay Description Materials: Chymotrypsin, bovine, 25 ug (Roche, sequence grade), Substrate S-2586 (Chromogenics, cat. no. 82 08 94). Chymotrypsin activity was determi...				US Patent US9695194 (2017) BindingDB Entry DOI: 10.7270/Q2CN723D
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM113300 (US9695194, 16) Show SMILES Clc1ccccc1-c1nc2cc3OCCOc3cc2c(=O)o1 Show InChI InChI=1S/C16H10ClNO4/c17-11-4-2-1-3-9(11)15-18-12-8-14-13(20-5-6-21-14)7-10(12)16(19)22-15/h1-4,7-8H,5-6H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	<100	<-41.6	n/a	n/a	n/a	n/a	n/a	7.2	37
SIXERA PHARMA AB US Patent					Assay Description Materials: Chymotrypsin, bovine, 25 ug (Roche, sequence grade), Substrate S-2586 (Chromogenics, cat. no. 82 08 94). Chymotrypsin activity was determi...				US Patent US9695194 (2017) BindingDB Entry DOI: 10.7270/Q2CN723D
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM113299 (US9695194, 15) Show SMILES COC1CC(OC)=CC=C1c1nc2cc3OCCOc3cc2c(=O)o1 |c:6,8| Show InChI InChI=1S/C18H17NO6/c1-21-10-3-4-11(14(7-10)22-2)17-19-13-9-16-15(23-5-6-24-16)8-12(13)18(20)25-17/h3-4,8-9,14H,5-7H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	<-41.6	n/a	n/a	n/a	n/a	n/a	7.2	37
SIXERA PHARMA AB US Patent					Assay Description Materials: Chymotrypsin, bovine, 25 ug (Roche, sequence grade), Substrate S-2586 (Chromogenics, cat. no. 82 08 94). Chymotrypsin activity was determi...				US Patent US9695194 (2017) BindingDB Entry DOI: 10.7270/Q2CN723D
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM113293 (US9695194, 10) Show SMILES CS(=O)(=O)c1ccccc1-c1nc2cc3OCCCOc3cc2c(=O)o1 Show InChI InChI=1S/C18H15NO6S/c1-26(21,22)16-6-3-2-5-11(16)17-19-13-10-15-14(23-7-4-8-24-15)9-12(13)18(20)25-17/h2-3,5-6,9-10H,4,7-8H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	200	-39.8	n/a	n/a	n/a	n/a	n/a	7.2	37
SIXERA PHARMA AB US Patent					Assay Description Materials: Chymotrypsin, bovine, 25 ug (Roche, sequence grade), Substrate S-2586 (Chromogenics, cat. no. 82 08 94). Chymotrypsin activity was determi...				US Patent US9695194 (2017) BindingDB Entry DOI: 10.7270/Q2CN723D
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM113292 (US9695194, 9) Show SMILES CSc1ccccc1-c1nc2cc3OCCCOc3cc2c(=O)o1 Show InChI InChI=1S/C18H15NO4S/c1-24-16-6-3-2-5-11(16)17-19-13-10-15-14(21-7-4-8-22-15)9-12(13)18(20)23-17/h2-3,5-6,9-10H,4,7-8H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	400	-38.0	n/a	n/a	n/a	n/a	n/a	7.2	37
SIXERA PHARMA AB US Patent					Assay Description Materials: Chymotrypsin, bovine, 25 ug (Roche, sequence grade), Substrate S-2586 (Chromogenics, cat. no. 82 08 94). Chymotrypsin activity was determi...				US Patent US9695194 (2017) BindingDB Entry DOI: 10.7270/Q2CN723D
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM113295 (US9695194, 12) Show SMILES COc1cc2nc(oc(=O)c2cc1OC)-c1ccccc1SC Show InChI InChI=1S/C17H15NO4S/c1-20-13-8-11-12(9-14(13)21-2)18-16(22-17(11)19)10-6-4-5-7-15(10)23-3/h4-9H,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	600	-36.9	n/a	n/a	n/a	n/a	n/a	7.2	37
SIXERA PHARMA AB US Patent					Assay Description Materials: Chymotrypsin, bovine, 25 ug (Roche, sequence grade), Substrate S-2586 (Chromogenics, cat. no. 82 08 94). Chymotrypsin activity was determi...				US Patent US9695194 (2017) BindingDB Entry DOI: 10.7270/Q2CN723D
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM113294 (US9695194, 11) Show SMILES CC(C)c1ccc(-c2nc3cc4OCCCOc4cc3c(=O)o2)c(c1)C(C)C Show InChI InChI=1S/C23H25NO4/c1-13(2)15-6-7-16(17(10-15)14(3)4)22-24-19-12-21-20(26-8-5-9-27-21)11-18(19)23(25)28-22/h6-7,10-14H,5,8-9H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	1.00E+3	-35.6	n/a	n/a	n/a	n/a	n/a	7.2	37
SIXERA PHARMA AB US Patent					Assay Description Materials: Chymotrypsin, bovine, 25 ug (Roche, sequence grade), Substrate S-2586 (Chromogenics, cat. no. 82 08 94). Chymotrypsin activity was determi...				US Patent US9695194 (2017) BindingDB Entry DOI: 10.7270/Q2CN723D
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM113301 (US9695194, 17) Show SMILES COc1ccc(c(OC)c1)-c1nc2cc(OC)c(OC)cc2c(=O)o1 Show InChI InChI=1S/C18H17NO6/c1-21-10-5-6-11(14(7-10)22-2)17-19-13-9-16(24-4)15(23-3)8-12(13)18(20)25-17/h5-9H,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	1.20E+3	-35.2	n/a	n/a	n/a	n/a	n/a	7.2	37
SIXERA PHARMA AB US Patent					Assay Description Materials: Chymotrypsin, bovine, 25 ug (Roche, sequence grade), Substrate S-2586 (Chromogenics, cat. no. 82 08 94). Chymotrypsin activity was determi...				US Patent US9695194 (2017) BindingDB Entry DOI: 10.7270/Q2CN723D
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM50289001 (2-(2-Iodo-phenyl)-6,7-dimethoxy-benzo[d][1,3]oxazi...) Show SMILES COc1cc2nc(oc(=O)c2cc1OC)-c1ccccc1I Show InChI InChI=1S/C16H12INO4/c1-20-13-7-10-12(8-14(13)21-2)18-15(22-16(10)19)9-5-3-4-6-11(9)17/h3-8H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	>1.00E+4	>-29.7	n/a	n/a	n/a	n/a	n/a	7.2	37
SIXERA PHARMA AB US Patent					Assay Description Materials: Chymotrypsin, bovine, 25 ug (Roche, sequence grade), Substrate S-2586 (Chromogenics, cat. no. 82 08 94). Chymotrypsin activity was determi...				US Patent US9695194 (2017) BindingDB Entry DOI: 10.7270/Q2CN723D
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM113069 (US9695194, 5) Show SMILES CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1OC Show InChI InChI=1S/C18H17NO5/c1-4-23-16-9-12-13(10-15(16)22-3)19-17(24-18(12)20)11-7-5-6-8-14(11)21-2/h5-10H,4H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	>1.00E+4	>-29.7	n/a	n/a	n/a	n/a	n/a	7.2	37
SIXERA PHARMA AB US Patent					Assay Description Materials: Chymotrypsin, bovine, 25 ug (Roche, sequence grade), Substrate S-2586 (Chromogenics, cat. no. 82 08 94). Chymotrypsin activity was determi...				US Patent US9695194 (2017) BindingDB Entry DOI: 10.7270/Q2CN723D
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM113068 (US9695194, 4) Show SMILES CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1S(C)(=O)=O Show InChI InChI=1S/C18H17NO6S/c1-4-24-15-9-12-13(10-14(15)23-2)19-17(25-18(12)20)11-7-5-6-8-16(11)26(3,21)22/h5-10H,4H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	>1.00E+4	>-29.7	n/a	n/a	n/a	n/a	n/a	7.2	37
SIXERA PHARMA AB US Patent					Assay Description Materials: Chymotrypsin, bovine, 25 ug (Roche, sequence grade), Substrate S-2586 (Chromogenics, cat. no. 82 08 94). Chymotrypsin activity was determi...				US Patent US9695194 (2017) BindingDB Entry DOI: 10.7270/Q2CN723D
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM113067 (US9695194, 3) Show SMILES CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccc(OC)cc1OC Show InChI InChI=1S/C19H19NO6/c1-5-25-17-9-13-14(10-16(17)24-4)20-18(26-19(13)21)12-7-6-11(22-2)8-15(12)23-3/h6-10H,5H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	>1.00E+4	>-29.7	n/a	n/a	n/a	n/a	n/a	7.2	37
SIXERA PHARMA AB US Patent					Assay Description Materials: Chymotrypsin, bovine, 25 ug (Roche, sequence grade), Substrate S-2586 (Chromogenics, cat. no. 82 08 94). Chymotrypsin activity was determi...				US Patent US9695194 (2017) BindingDB Entry DOI: 10.7270/Q2CN723D
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM113060 (US9695194, 1) Show SMILES CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1SC Show InChI InChI=1S/C18H17NO4S/c1-4-22-15-9-12-13(10-14(15)21-2)19-17(23-18(12)20)11-7-5-6-8-16(11)24-3/h5-10H,4H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	>1.00E+4	>-29.7	n/a	n/a	n/a	n/a	n/a	7.2	37
SIXERA PHARMA AB US Patent					Assay Description Materials: Chymotrypsin, bovine, 25 ug (Roche, sequence grade), Substrate S-2586 (Chromogenics, cat. no. 82 08 94). Chymotrypsin activity was determi...				US Patent US9695194 (2017) BindingDB Entry DOI: 10.7270/Q2CN723D
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM113065 (US9695194, 2) Show SMILES CCOc1cc2c(cc1OC)nc(oc2=O)-c1ccccc1Cl Show InChI InChI=1S/C17H14ClNO4/c1-3-22-15-8-11-13(9-14(15)21-2)19-16(23-17(11)20)10-6-4-5-7-12(10)18/h4-9H,3H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	>1.00E+4	>-29.7	n/a	n/a	n/a	n/a	n/a	7.2	37
SIXERA PHARMA AB US Patent					Assay Description Materials: Chymotrypsin, bovine, 25 ug (Roche, sequence grade), Substrate S-2586 (Chromogenics, cat. no. 82 08 94). Chymotrypsin activity was determi...				US Patent US9695194 (2017) BindingDB Entry DOI: 10.7270/Q2CN723D
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM105233 (US8580800, 31) Show SMILES CN1CC2=C([C@H](NC(=O)N2c2ccc(F)c(c2)C(F)(F)F)c2ccc(cc2)C#N)C(=O)N1 |r,t:3| Show InChI InChI=1S/C21H15F4N5O2/c1-29-10-16-17(19(31)28-29)18(12-4-2-11(9-26)3-5-12)27-20(32)30(16)13-6-7-15(22)14(8-13)21(23,24)25/h2-8,18H,10H2,1H3,(H,27,32)(H,28,31)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	28	n/a	n/a	n/a	n/a	7.4	37
Bayer Intellectual Property GmbH US Patent					Assay Description The potency of the compounds of the invention is ascertained in an in vitro inhibition assay. The HNE-mediated amidolytic cleavage of a suitable pept...				US Patent US8580800 (2013) BindingDB Entry DOI: 10.7270/Q2WM1C18
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM166433 (US9073833, 1) Show SMILES C\C(=N/O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1 Show InChI InChI=1S/C19H22N2O5S/c1-13(20-23)16-7-5-6-8-17(16)21-27(24,25)15-11-9-14(10-12-15)26-18(22)19(2,3)4/h5-12,21,23H,1-4H3/b20-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.13E+4	n/a	n/a	n/a	n/a	7.4	n/a
Chang Gung University US Patent					Assay Description Each of Compounds (1) to (7) was added into 50 μL buffer A (containing 20 mM Tris-HCl (pH 7.4), 0.1% NaN3 and 5 mM CaCl2) to obtain compound sol...				US Patent US9073833 (2015) BindingDB Entry DOI: 10.7270/Q2TT4PQJ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM166434 (US9073833, 2) Show SMILES CC\C(=N/O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1 Show InChI InChI=1S/C20H24N2O5S/c1-5-17(21-24)16-8-6-7-9-18(16)22-28(25,26)15-12-10-14(11-13-15)27-19(23)20(2,3)4/h6-13,22,24H,5H2,1-4H3/b21-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.79E+5	n/a	n/a	n/a	n/a	7.4	n/a
Chang Gung University US Patent					Assay Description Each of Compounds (1) to (7) was added into 50 μL buffer A (containing 20 mM Tris-HCl (pH 7.4), 0.1% NaN3 and 5 mM CaCl2) to obtain compound sol...				US Patent US9073833 (2015) BindingDB Entry DOI: 10.7270/Q2TT4PQJ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM166435 (US9073833, 3) Show SMILES CCC\C(=N/O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1 Show InChI InChI=1S/C21H26N2O5S/c1-5-8-18(22-25)17-9-6-7-10-19(17)23-29(26,27)16-13-11-15(12-14-16)28-20(24)21(2,3)4/h6-7,9-14,23,25H,5,8H2,1-4H3/b22-18+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.68E+5	n/a	n/a	n/a	n/a	7.4	n/a
Chang Gung University US Patent					Assay Description Each of Compounds (1) to (7) was added into 50 μL buffer A (containing 20 mM Tris-HCl (pH 7.4), 0.1% NaN3 and 5 mM CaCl2) to obtain compound sol...				US Patent US9073833 (2015) BindingDB Entry DOI: 10.7270/Q2TT4PQJ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM166436 (US9073833, 4) Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1\C=N\O Show InChI InChI=1S/C18H20N2O5S/c1-18(2,3)17(21)25-14-8-10-15(11-9-14)26(23,24)20-16-7-5-4-6-13(16)12-19-22/h4-12,20,22H,1-3H3/b19-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.94E+5	n/a	n/a	n/a	n/a	7.4	n/a
Chang Gung University US Patent					Assay Description Each of Compounds (1) to (7) was added into 50 μL buffer A (containing 20 mM Tris-HCl (pH 7.4), 0.1% NaN3 and 5 mM CaCl2) to obtain compound sol...				US Patent US9073833 (2015) BindingDB Entry DOI: 10.7270/Q2TT4PQJ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM166437 (US9073833, 5) Show SMILES CO\N=C(/C)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1 Show InChI InChI=1S/C20H24N2O5S/c1-14(21-26-5)17-8-6-7-9-18(17)22-28(24,25)16-12-10-15(11-13-16)27-19(23)20(2,3)4/h6-13,22H,1-5H3/b21-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.24E+5	n/a	n/a	n/a	n/a	7.4	n/a
Chang Gung University US Patent					Assay Description Each of Compounds (1) to (7) was added into 50 μL buffer A (containing 20 mM Tris-HCl (pH 7.4), 0.1% NaN3 and 5 mM CaCl2) to obtain compound sol...				US Patent US9073833 (2015) BindingDB Entry DOI: 10.7270/Q2TT4PQJ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM166438 (US9073833, 6) Show SMILES CO\N=C(\C)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1 Show InChI InChI=1S/C20H24N2O5S/c1-14(21-26-5)17-8-6-7-9-18(17)22-28(24,25)16-12-10-15(11-13-16)27-19(23)20(2,3)4/h6-13,22H,1-5H3/b21-14-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.67E+5	n/a	n/a	n/a	n/a	7.4	n/a
Chang Gung University US Patent					Assay Description Each of Compounds (1) to (7) was added into 50 μL buffer A (containing 20 mM Tris-HCl (pH 7.4), 0.1% NaN3 and 5 mM CaCl2) to obtain compound sol...				US Patent US9073833 (2015) BindingDB Entry DOI: 10.7270/Q2TT4PQJ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM166440 (US9073833, 7) Show SMILES C\C(=N/OCCCO)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1 Show InChI InChI=1S/C22H28N2O6S/c1-16(23-29-15-7-14-25)19-8-5-6-9-20(19)24-31(27,28)18-12-10-17(11-13-18)30-21(26)22(2,3)4/h5-6,8-13,24-25H,7,14-15H2,1-4H3/b23-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.59E+5	n/a	n/a	n/a	n/a	7.4	n/a
Chang Gung University US Patent					Assay Description Each of Compounds (1) to (7) was added into 50 μL buffer A (containing 20 mM Tris-HCl (pH 7.4), 0.1% NaN3 and 5 mM CaCl2) to obtain compound sol...				US Patent US9073833 (2015) BindingDB Entry DOI: 10.7270/Q2TT4PQJ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM166439 (US9073833, Sivelestat) Show SMILES CC(C)(C)C(=O)Oc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(O)=NCC(O)=O |w:25.27| Show InChI InChI=1S/C20H22N2O7S/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.50E+4	n/a	n/a	n/a	n/a	7.4	n/a
Chang Gung University US Patent					Assay Description Each of Compounds (1) to (7) was added into 50 μL buffer A (containing 20 mM Tris-HCl (pH 7.4), 0.1% NaN3 and 5 mM CaCl2) to obtain compound sol...				US Patent US9073833 (2015) BindingDB Entry DOI: 10.7270/Q2TT4PQJ
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM93332 (QN-33) Show SMILES CCn1c2ccccc2c2cc(\C=C\c3ccc4ccccc4[n+]3CCCCCC(=O)NCCN)ccc12 Show InChI InChI=1S/C33H36N4O/c1-2-36-31-13-8-6-11-28(31)29-24-25(16-20-32(29)36)15-18-27-19-17-26-10-5-7-12-30(26)37(27)23-9-3-4-14-33(38)35-22-21-34/h5-8,10-13,15-20,24H,2-4,9,14,21-23,34H2,1H3/p+1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.53E+4	n/a	n/a	n/a	7.4	n/a
New York University					Assay Description Fluorescence titration using alpha-chymotrypsin.				J Comb Chem 10: 460-5 (2008) Article DOI: 10.1021/cc700189b BindingDB Entry DOI: 10.7270/Q2V123CN
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM93333 (Met-33) Show SMILES CCn1c2ccccc2c2cc(\C=C\c3ccc4ccccc4[n+]3C)ccc12 Show InChI InChI=1S/C26H23N2/c1-3-28-25-11-7-5-9-22(25)23-18-19(13-17-26(23)28)12-15-21-16-14-20-8-4-6-10-24(20)27(21)2/h4-18H,3H2,1-2H3/q+1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.10E+5	n/a	n/a	n/a	7.4	n/a
New York University					Assay Description Fluorescence titration using alpha-chymotrypsin.				J Comb Chem 10: 460-5 (2008) Article DOI: 10.1021/cc700189b BindingDB Entry DOI: 10.7270/Q2V123CN
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM93334 (Sul-33) Show SMILES CCn1c2ccccc2c2cc(\C=C\c3ccc4ccccc4[n+]3CCCCS([O-])(=O)=O)ccc12 Show InChI InChI=1S/C29H28N2O3S/c1-2-30-28-12-6-4-10-25(28)26-21-22(14-18-29(26)30)13-16-24-17-15-23-9-3-5-11-27(23)31(24)19-7-8-20-35(32,33)34/h3-6,9-18,21H,2,7-8,19-20H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.51E+5	n/a	n/a	n/a	7.4	n/a
New York University					Assay Description Fluorescence titration using alpha-chymotrypsin.				J Comb Chem 10: 460-5 (2008) Article DOI: 10.1021/cc700189b BindingDB Entry DOI: 10.7270/Q2V123CN
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM93335 (QN-49) Show SMILES NCCNC(=O)CCCCC[n+]1c(\C=C\c2c([nH]c3ccccc23)-c2ccccc2)ccc2ccccc12 Show InChI InChI=1S/C33H34N4O/c34-22-23-35-32(38)17-5-2-10-24-37-27(19-18-25-11-6-9-16-31(25)37)20-21-29-28-14-7-8-15-30(28)36-33(29)26-12-3-1-4-13-26/h1,3-4,6-9,11-16,18-21H,2,5,10,17,22-24,34H2,(H,35,38)/p+1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.24E+4	n/a	n/a	n/a	7.4	n/a
New York University					Assay Description Fluorescence titration using alpha-chymotrypsin.				J Comb Chem 10: 460-5 (2008) Article DOI: 10.1021/cc700189b BindingDB Entry DOI: 10.7270/Q2V123CN
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM93336 (Met-49) Show SMILES C[n+]1c(\C=C\c2c([nH]c3ccccc23)-c2ccccc2)ccc2ccccc12 Show InChI InChI=1S/C26H20N2/c1-28-21(16-15-19-9-5-8-14-25(19)28)17-18-23-22-12-6-7-13-24(22)27-26(23)20-10-3-2-4-11-20/h2-18H,1H3/p+1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.10E+4	n/a	n/a	n/a	7.4	n/a
New York University					Assay Description Fluorescence titration using alpha-chymotrypsin.				J Comb Chem 10: 460-5 (2008) Article DOI: 10.1021/cc700189b BindingDB Entry DOI: 10.7270/Q2V123CN
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50118029 (3-Isopropyl-1-methanesulfonyl-4-(4-piperidin-1-yl-...) Show SMILES Cl.[H][C@@]12CCN(C(=O)\C=C\CN3CCCCC3)[C@@]1([H])[C@H](C(C)C)C(=O)N2S(C)(=O)=O |r| Show InChI InChI=1S/C19H31N3O4S/c1-14(2)17-18-15(22(19(17)24)27(3,25)26)9-13-21(18)16(23)8-7-12-20-10-5-4-6-11-20/h7-8,14-15,17-18H,4-6,9-13H2,1-3H3/b8-7+/t15-,17+,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	n/a	2.06E+6	n/a	7.4	n/a
GSK Curated by ChEMBL					Assay Description Association rate constant at pH 7.4.against Elastase				J Med Chem 45: 3878-90 (2002) BindingDB Entry DOI: 10.7270/Q2HM596S
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50118029 (3-Isopropyl-1-methanesulfonyl-4-(4-piperidin-1-yl-...) Show SMILES Cl.[H][C@@]12CCN(C(=O)\C=C\CN3CCCCC3)[C@@]1([H])[C@H](C(C)C)C(=O)N2S(C)(=O)=O |r| Show InChI InChI=1S/C19H31N3O4S/c1-14(2)17-18-15(22(19(17)24)27(3,25)26)9-13-21(18)16(23)8-7-12-20-10-5-4-6-11-20/h7-8,14-15,17-18H,4-6,9-13H2,1-3H3/b8-7+/t15-,17+,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	n/a	n/a	6.63E+3	7.4	n/a
GSK Curated by ChEMBL					Assay Description Dissociation rate constant at pH 7.4 against Elastase				J Med Chem 45: 3878-90 (2002) BindingDB Entry DOI: 10.7270/Q2HM596S
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50118028 (3-Isopropyl-1-methanesulfonyl-4-(2-pyrrolidin-1-yl...) Show SMILES CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)c2coc(CN3CCCC3)n2)N(C1=O)S(C)(=O)=O Show InChI InChI=1S/C19H28N4O5S/c1-12(2)16-17-14(23(19(16)25)29(3,26)27)6-9-22(17)18(24)13-11-28-15(20-13)10-21-7-4-5-8-21/h11-12,14,16-17H,4-10H2,1-3H3/t14-,16+,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	n/a	n/a	3.05E+4	7.4	n/a
GSK Curated by ChEMBL					Assay Description Dissociation rate constant at pH 7.4 against Elastase				J Med Chem 45: 3878-90 (2002) BindingDB Entry DOI: 10.7270/Q2HM596S
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50118027 (4-[1-(2,2-Dimethyl-propyl)-azetidine-3-carbonyl]-3...) Show SMILES CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)C2CN(CC(C)(C)C)C2)N(C1=O)S(C)(=O)=O Show InChI InChI=1S/C19H33N3O4S/c1-12(2)15-16-14(22(18(15)24)27(6,25)26)7-8-21(16)17(23)13-9-20(10-13)11-19(3,4)5/h12-16H,7-11H2,1-6H3/t14-,15+,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	n/a	1.09E+7	n/a	7.4	n/a
GSK Curated by ChEMBL					Assay Description Association rate constant at pH 7.4 against Elastase				J Med Chem 45: 3878-90 (2002) BindingDB Entry DOI: 10.7270/Q2HM596S
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50118030 (4-(5-Cyclopropylaminomethyl-pyrazine-2-carbonyl)-3...) Show SMILES CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)c2cnc(CNC3CC3)cn2)N(C1=O)S(C)(=O)=O Show InChI InChI=1S/C19H27N5O4S/c1-11(2)16-17-15(24(19(16)26)29(3,27)28)6-7-23(17)18(25)14-10-21-13(9-22-14)8-20-12-4-5-12/h9-12,15-17,20H,4-8H2,1-3H3/t15-,16+,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	n/a	3.30E+6	n/a	7.4	n/a
GSK Curated by ChEMBL					Assay Description Association rate constant at pH 7.4 against Elastase				J Med Chem 45: 3878-90 (2002) BindingDB Entry DOI: 10.7270/Q2HM596S
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50118030 (4-(5-Cyclopropylaminomethyl-pyrazine-2-carbonyl)-3...) Show SMILES CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)c2cnc(CNC3CC3)cn2)N(C1=O)S(C)(=O)=O Show InChI InChI=1S/C19H27N5O4S/c1-11(2)16-17-15(24(19(16)26)29(3,27)28)6-7-23(17)18(25)14-10-21-13(9-22-14)8-20-12-4-5-12/h9-12,15-17,20H,4-8H2,1-3H3/t15-,16+,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	n/a	n/a	2.52E+5	7.4	n/a
GSK Curated by ChEMBL					Assay Description Dissociation rate constant at pH 7.4 against Elastase				J Med Chem 45: 3878-90 (2002) BindingDB Entry DOI: 10.7270/Q2HM596S
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM189810 (US9174997, 2) Show SMILES CC(=O)C1=C(C)N(C(=O)N[C@@H]1c1ccc(cc1S(C)(=O)=O)C#N)c1cccc(c1)C(F)(F)F |r,c:3| Show InChI InChI=1S/C22H18F3N3O4S/c1-12-19(13(2)29)20(17-8-7-14(11-26)9-18(17)33(3,31)32)27-21(30)28(12)16-6-4-5-15(10-16)22(23,24)25/h4-10,20H,1-3H3,(H,27,30)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	7.4	37
Bayer Intellectual Property GmbH US Patent					Assay Description The potency of the compounds of the invention is ascertained in an in vitro inhibition assay. The HNE-mediated amidolytic cleavage of a suitable pept...				US Patent US9174997 (2015) BindingDB Entry DOI: 10.7270/Q2GT5KZQ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM189811 (US9174997, 6) Show SMILES CC1=C([N+]#[C-])[C@H](NC(=O)N1c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |r,c:1| Show InChI InChI=1S/C21H15F3N4O3S/c1-12-18(26-2)19(16-8-7-13(11-25)9-17(16)32(3,30)31)27-20(29)28(12)15-6-4-5-14(10-15)21(22,23)24/h4-10,19H,1,3H3,(H,27,29)/t19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.4	37
Bayer Intellectual Property GmbH US Patent					Assay Description The potency of the compounds of the invention is ascertained in an in vitro inhibition assay. The HNE-mediated amidolytic cleavage of a suitable pept...				US Patent US9174997 (2015) BindingDB Entry DOI: 10.7270/Q2GT5KZQ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM189812 (US9174997, 10) Show SMILES CC1=C([N+]#[C-])[C@H](N(C(=O)NCCO)C(=O)N1c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |r,c:1| Show InChI InChI=1S/C24H20F3N5O5S/c1-14-20(29-2)21(18-8-7-15(13-28)11-19(18)38(3,36)37)32(22(34)30-9-10-33)23(35)31(14)17-6-4-5-16(12-17)24(25,26)27/h4-8,11-12,21,33H,9-10H2,1,3H3,(H,30,34)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	7.4	37
Bayer Intellectual Property GmbH US Patent					Assay Description The potency of the compounds of the invention is ascertained in an in vitro inhibition assay. The HNE-mediated amidolytic cleavage of a suitable pept...				US Patent US9174997 (2015) BindingDB Entry DOI: 10.7270/Q2GT5KZQ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM189813 (US9174997, 12) Show SMILES CC1=C([N+]#[C-])[C@H](N(C(=O)NN(CCO)CCO)C(=O)N1c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |r,c:1| Show InChI InChI=1S/C26H25F3N6O6S/c1-16-22(31-2)23(20-8-7-17(15-30)13-21(20)42(3,40)41)35(24(38)32-33(9-11-36)10-12-37)25(39)34(16)19-6-4-5-18(14-19)26(27,28)29/h4-8,13-14,23,36-37H,9-12H2,1,3H3,(H,32,38)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	7.4	37
Bayer Intellectual Property GmbH US Patent					Assay Description The potency of the compounds of the invention is ascertained in an in vitro inhibition assay. The HNE-mediated amidolytic cleavage of a suitable pept...				US Patent US9174997 (2015) BindingDB Entry DOI: 10.7270/Q2GT5KZQ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM189814 (US9174997, 14) Show SMILES CC1=C([N+]#[C-])[C@H](N(C(=O)NCCOCCO)C(=O)N1c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |r,c:1| Show InChI InChI=1S/C26H24F3N5O6S/c1-16-22(31-2)23(20-8-7-17(15-30)13-21(20)41(3,38)39)34(24(36)32-9-11-40-12-10-35)25(37)33(16)19-6-4-5-18(14-19)26(27,28)29/h4-8,13-14,23,35H,9-12H2,1,3H3,(H,32,36)/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	7.4	37
Bayer Intellectual Property GmbH US Patent					Assay Description The potency of the compounds of the invention is ascertained in an in vitro inhibition assay. The HNE-mediated amidolytic cleavage of a suitable pept...				US Patent US9174997 (2015) BindingDB Entry DOI: 10.7270/Q2GT5KZQ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM189815 (US9174997, 18) Show SMILES CC1=C([N+]#[C-])[C@H](N(C(=O)N2CC[C@H](O)C2)C(=O)N1c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |r,c:1| Show InChI InChI=1S/C26H22F3N5O5S/c1-15-22(31-2)23(20-8-7-16(13-30)11-21(20)40(3,38)39)34(24(36)32-10-9-19(35)14-32)25(37)33(15)18-6-4-5-17(12-18)26(27,28)29/h4-8,11-12,19,23,35H,9-10,14H2,1,3H3/t19-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<0.300	n/a	n/a	n/a	n/a	7.4	37
Bayer Intellectual Property GmbH US Patent					Assay Description The potency of the compounds of the invention is ascertained in an in vitro inhibition assay. The HNE-mediated amidolytic cleavage of a suitable pept...				US Patent US9174997 (2015) BindingDB Entry DOI: 10.7270/Q2GT5KZQ
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM189816 (US9174997, 20) Show SMILES CC1=C([N+]#[C-])[C@H](N(C(=O)N2CCN(CCO)CC2)C(=O)N1c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N |r,c:1| Show InChI InChI=1S/C28H27F3N6O5S/c1-18-24(33-2)25(22-8-7-19(17-32)15-23(22)43(3,41)42)37(26(39)35-11-9-34(10-12-35)13-14-38)27(40)36(18)21-6-4-5-20(16-21)28(29,30)31/h4-8,15-16,25,38H,9-14H2,1,3H3/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	7.4	37
Bayer Intellectual Property GmbH US Patent					Assay Description The potency of the compounds of the invention is ascertained in an in vitro inhibition assay. The HNE-mediated amidolytic cleavage of a suitable pept...				US Patent US9174997 (2015) BindingDB Entry DOI: 10.7270/Q2GT5KZQ
					More data for this Ligand-Target Pair

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