Compile Data Set for Download or QSAR

Found 327 hits with Last Name = 'katada' and Initial = 'j'   

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
Chymotrypsinogen A (Bos taurus (bovine))	BDBM50073123 ((S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-nonan...) Show SMILES CCCCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC Show InChI InChI=1S/C30H39N3O4/c1-5-7-8-12-15-26(33-27(34)24-18-16-23(21-31)17-19-24)30(3,4)29(36)32-25(28(35)37-6-2)20-22-13-10-9-11-14-22/h9-11,13-14,16-19,25-26H,5-8,12,15,20H2,1-4H3,(H,32,36)(H,33,34)/t25-,26?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Compound was evaluated for inactivation of bovine alpha-Chymotrypsin Kinetic constant(Ki)				J Med Chem 42: 312-23 (1999) Article DOI: 10.1021/jm980562h BindingDB Entry DOI: 10.7270/Q2930SBF
					More data for this Ligand-Target Pair
Chymotrypsinogen A (Bos taurus (bovine))	BDBM50073127 ((S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-nonan...) Show SMILES CCCCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)C Show InChI InChI=1S/C31H41N3O4/c1-6-7-8-12-15-27(34-28(35)25-18-16-24(21-32)17-19-25)31(4,5)30(37)33-26(29(36)38-22(2)3)20-23-13-10-9-11-14-23/h9-11,13-14,16-19,22,26-27H,6-8,12,15,20H2,1-5H3,(H,33,37)(H,34,35)/t26-,27?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Compound was evaluated for inactivation of bovine alpha-Chymotrypsin Kinetic constant(Ki)				J Med Chem 42: 312-23 (1999) Article DOI: 10.1021/jm980562h BindingDB Entry DOI: 10.7270/Q2930SBF
					More data for this Ligand-Target Pair
Chymotrypsinogen A (Bos taurus (bovine))	BDBM50073126 ((S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-nonan...) Show SMILES CCCCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCCC Show InChI InChI=1S/C31H41N3O4/c1-5-7-8-12-15-27(34-28(35)25-18-16-24(22-32)17-19-25)31(3,4)30(37)33-26(29(36)38-20-6-2)21-23-13-10-9-11-14-23/h9-11,13-14,16-19,26-27H,5-8,12,15,20-21H2,1-4H3,(H,33,37)(H,34,35)/t26-,27?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Compound was evaluated for inactivation of bovine alpha-Chymotrypsin Kinetic constant(Ki)				J Med Chem 42: 312-23 (1999) Article DOI: 10.1021/jm980562h BindingDB Entry DOI: 10.7270/Q2930SBF
					More data for this Ligand-Target Pair
Chymotrypsinogen A (Bos taurus (bovine))	BDBM50073125 ((S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-nonan...) Show SMILES CCCCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC Show InChI InChI=1S/C29H37N3O4/c1-5-6-7-11-14-25(32-26(33)23-17-15-22(20-30)16-18-23)29(2,3)28(35)31-24(27(34)36-4)19-21-12-9-8-10-13-21/h8-10,12-13,15-18,24-25H,5-7,11,14,19H2,1-4H3,(H,31,35)(H,32,33)/t24-,25?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Compound was evaluated for inactivation of bovine alpha-Chymotrypsin Kinetic constant(Ki)				J Med Chem 42: 312-23 (1999) Article DOI: 10.1021/jm980562h BindingDB Entry DOI: 10.7270/Q2930SBF
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50073123 ((S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-nonan...) Show SMILES CCCCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC Show InChI InChI=1S/C30H39N3O4/c1-5-7-8-12-15-26(33-27(34)24-18-16-23(21-31)17-19-24)30(3,4)29(36)32-25(28(35)37-6-2)20-22-13-10-9-11-14-22/h9-11,13-14,16-19,25-26H,5-8,12,15,20H2,1-4H3,(H,32,36)(H,33,34)/t25-,26?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Compound was tested by chromogenic assay for the inhibition of serine proteases like Porcine Elastase				J Med Chem 42: 312-23 (1999) Article DOI: 10.1021/jm980562h BindingDB Entry DOI: 10.7270/Q2930SBF
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM50073139 (2-(4-cyanophenylcarboxamido)-1,1-dimethyl-4-phenyl...) Show SMILES CC(C)(C(CCc1ccccc1)NC(=O)c1ccc(cc1)C#N)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)c1ccc(cc1)C#N Show InChI InChI=1S/C42H42N4O5/c1-41(2,35(25-19-29-11-7-5-8-12-29)45-37(47)33-21-15-31(27-43)16-22-33)39(49)51-40(50)42(3,4)36(26-20-30-13-9-6-10-14-30)46-38(48)34-23-17-32(28-44)18-24-34/h5-18,21-24,35-36H,19-20,25-26H2,1-4H3,(H,45,47)(H,46,48)	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	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Inhibitory activity against human leukocyte cathepsin G (h-CG)				Bioorg Med Chem Lett 9: 413-8 (1999) BindingDB Entry DOI: 10.7270/Q2BK1BGC
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Bos taurus)	BDBM50073123 ((S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-nonan...) Show SMILES CCCCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC Show InChI InChI=1S/C30H39N3O4/c1-5-7-8-12-15-26(33-27(34)24-18-16-23(21-31)17-19-24)30(3,4)29(36)32-25(28(35)37-6-2)20-22-13-10-9-11-14-22/h9-11,13-14,16-19,25-26H,5-8,12,15,20H2,1-4H3,(H,32,36)(H,33,34)/t25-,26?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description In vitro inhibition of bovine alpha chymotrypsin.				J Med Chem 42: 312-23 (1999) Article DOI: 10.1021/jm980562h BindingDB Entry DOI: 10.7270/Q2930SBF
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Bos taurus)	BDBM50073123 ((S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-nonan...) Show SMILES CCCCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC Show InChI InChI=1S/C30H39N3O4/c1-5-7-8-12-15-26(33-27(34)24-18-16-23(21-31)17-19-24)30(3,4)29(36)32-25(28(35)37-6-2)20-22-13-10-9-11-14-22/h9-11,13-14,16-19,25-26H,5-8,12,15,20H2,1-4H3,(H,32,36)(H,33,34)/t25-,26?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description In vitro inhibition of bovine alpha chymotrypsin.				J Med Chem 42: 312-23 (1999) Article DOI: 10.1021/jm980562h BindingDB Entry DOI: 10.7270/Q2930SBF
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50073139 (2-(4-cyanophenylcarboxamido)-1,1-dimethyl-4-phenyl...) Show SMILES CC(C)(C(CCc1ccccc1)NC(=O)c1ccc(cc1)C#N)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)c1ccc(cc1)C#N Show InChI InChI=1S/C42H42N4O5/c1-41(2,35(25-19-29-11-7-5-8-12-29)45-37(47)33-21-15-31(27-43)16-22-33)39(49)51-40(50)42(3,4)36(26-20-30-13-9-6-10-14-30)46-38(48)34-23-17-32(28-44)18-24-34/h5-18,21-24,35-36H,19-20,25-26H2,1-4H3,(H,45,47)(H,46,48)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Inhibitory activity against bovine pancreatic alpha-chymotrypsin (alpha-CT)				Bioorg Med Chem Lett 9: 413-8 (1999) BindingDB Entry DOI: 10.7270/Q2BK1BGC
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Bos taurus)	BDBM50073139 (2-(4-cyanophenylcarboxamido)-1,1-dimethyl-4-phenyl...) Show SMILES CC(C)(C(CCc1ccccc1)NC(=O)c1ccc(cc1)C#N)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)c1ccc(cc1)C#N Show InChI InChI=1S/C42H42N4O5/c1-41(2,35(25-19-29-11-7-5-8-12-29)45-37(47)33-21-15-31(27-43)16-22-33)39(49)51-40(50)42(3,4)36(26-20-30-13-9-6-10-14-30)46-38(48)34-23-17-32(28-44)18-24-34/h5-18,21-24,35-36H,19-20,25-26H2,1-4H3,(H,45,47)(H,46,48)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description In vitro inhibition of bovine alpha chymotrypsin.				J Med Chem 42: 312-23 (1999) Article DOI: 10.1021/jm980562h BindingDB Entry DOI: 10.7270/Q2930SBF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50064943 ((1-{3-[2-Fluoro-4-(imino-thiazolidin-3-yl-methyl)-...) Show SMILES CCOC(=O)CC1CCN(CC1)C(=O)C(C)(C)C(CC)NC(=O)c1ccc(cc1F)C(=N)N1CCSC1 Show InChI InChI=1S/C27H39FN4O4S/c1-5-22(27(3,4)26(35)31-11-9-18(10-12-31)15-23(33)36-6-2)30-25(34)20-8-7-19(16-21(20)28)24(29)32-13-14-37-17-32/h7-8,16,18,22,29H,5-6,9-15,17H2,1-4H3,(H,30,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Binding affinity to human fibrinogen receptor				J Med Chem 41: 2345-60 (1998) Article DOI: 10.1021/jm980126v BindingDB Entry DOI: 10.7270/Q2WD3ZPH
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50064930 (CHEMBL77113 | {1-[3-(4-Carbamimidoyl-benzoylamino)...) Show SMILES CC(C)(C(NC(=O)c1ccc(cc1)C(N)=N)c1cccc(O)c1)C(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C26H32N4O5/c1-26(2,25(35)30-12-10-16(11-13-30)14-21(32)33)22(19-4-3-5-20(31)15-19)29-24(34)18-8-6-17(7-9-18)23(27)28/h3-9,15-16,22,31H,10-14H2,1-2H3,(H3,27,28)(H,29,34)(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Binding affinity to human fibrinogen receptor				J Med Chem 41: 2345-60 (1998) Article DOI: 10.1021/jm980126v BindingDB Entry DOI: 10.7270/Q2WD3ZPH
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Bos taurus)	BDBM50073123 ((S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-nonan...) Show SMILES CCCCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC Show InChI InChI=1S/C30H39N3O4/c1-5-7-8-12-15-26(33-27(34)24-18-16-23(21-31)17-19-24)30(3,4)29(36)32-25(28(35)37-6-2)20-22-13-10-9-11-14-22/h9-11,13-14,16-19,25-26H,5-8,12,15,20H2,1-4H3,(H,32,36)(H,33,34)/t25-,26?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description In vitro inhibition of bovine alpha chymotrypsin.				J Med Chem 42: 312-23 (1999) Article DOI: 10.1021/jm980562h BindingDB Entry DOI: 10.7270/Q2930SBF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50064941 (CHEMBL78295 | {1-[3-(4-Carbamimidoyl-2-fluoro-benz...) Show SMILES CCC(NC(=O)c1ccc(cc1F)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C22H31FN4O4/c1-4-17(26-20(30)15-6-5-14(19(24)25)12-16(15)23)22(2,3)21(31)27-9-7-13(8-10-27)11-18(28)29/h5-6,12-13,17H,4,7-11H2,1-3H3,(H3,24,25)(H,26,30)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Binding affinity to human fibrinogen receptor				J Med Chem 41: 2345-60 (1998) Article DOI: 10.1021/jm980126v BindingDB Entry DOI: 10.7270/Q2WD3ZPH
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50064942 (CHEMBL74908 | {1-[3-(4-Carbamimidoyl-benzoylamino)...) Show SMILES CC(C)CC(NC(=O)c1ccc(cc1)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C24H36N4O4/c1-15(2)13-19(27-22(31)18-7-5-17(6-8-18)21(25)26)24(3,4)23(32)28-11-9-16(10-12-28)14-20(29)30/h5-8,15-16,19H,9-14H2,1-4H3,(H3,25,26)(H,27,31)(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Binding affinity to human fibrinogen receptor				J Med Chem 41: 2345-60 (1998) Article DOI: 10.1021/jm980126v BindingDB Entry DOI: 10.7270/Q2WD3ZPH
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50064935 (CHEMBL312368 | {1-[3-(4-Carbamimidoyl-2-fluoro-ben...) Show SMILES CCOC(=O)CC1CCN(CC1)C(=O)C(C)(C)C(CC)NC(=O)c1ccc(cc1F)C(N)=N Show InChI InChI=1S/C24H35FN4O4/c1-5-19(28-22(31)17-8-7-16(21(26)27)14-18(17)25)24(3,4)23(32)29-11-9-15(10-12-29)13-20(30)33-6-2/h7-8,14-15,19H,5-6,9-13H2,1-4H3,(H3,26,27)(H,28,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Binding affinity to human fibrinogen receptor				J Med Chem 41: 2345-60 (1998) Article DOI: 10.1021/jm980126v BindingDB Entry DOI: 10.7270/Q2WD3ZPH
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50064922 (CHEMBL432915 | {1-[3-(4-Carbamimidoyl-benzoylamino...) Show SMILES CCCCC(NC(=O)c1ccc(cc1)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C24H36N4O4/c1-4-5-6-19(27-22(31)18-9-7-17(8-10-18)21(25)26)24(2,3)23(32)28-13-11-16(12-14-28)15-20(29)30/h7-10,16,19H,4-6,11-15H2,1-3H3,(H3,25,26)(H,27,31)(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Binding affinity to human fibrinogen receptor				J Med Chem 41: 2345-60 (1998) Article DOI: 10.1021/jm980126v BindingDB Entry DOI: 10.7270/Q2WD3ZPH
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50064920 ((1-{3-[2-Fluoro-4-(imino-morpholin-4-yl-methyl)-be...) Show SMILES CCOC(=O)CC1CCN(CC1)C(=O)C(C)(C)C(CC)NC(=O)c1ccc(cc1F)C(=N)N1CCOCC1 Show InChI InChI=1S/C28H41FN4O5/c1-5-23(28(3,4)27(36)33-11-9-19(10-12-33)17-24(34)38-6-2)31-26(35)21-8-7-20(18-22(21)29)25(30)32-13-15-37-16-14-32/h7-8,18-19,23,30H,5-6,9-17H2,1-4H3,(H,31,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Binding affinity to human fibrinogen receptor				J Med Chem 41: 2345-60 (1998) Article DOI: 10.1021/jm980126v BindingDB Entry DOI: 10.7270/Q2WD3ZPH
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50064938 (CHEMBL77635 | {1-[3-(4-Carbamimidoyl-2-fluoro-benz...) Show SMILES CC(NC(=O)c1ccc(cc1F)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C21H29FN4O4/c1-12(25-19(29)15-5-4-14(18(23)24)11-16(15)22)21(2,3)20(30)26-8-6-13(7-9-26)10-17(27)28/h4-5,11-13H,6-10H2,1-3H3,(H3,23,24)(H,25,29)(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Binding affinity to human fibrinogen receptor				J Med Chem 41: 2345-60 (1998) Article DOI: 10.1021/jm980126v BindingDB Entry DOI: 10.7270/Q2WD3ZPH
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50064926 (CHEMBL77404 | {1-[3-(4-Carbamimidoyl-benzoylamino)...) Show SMILES CCC(NC(=O)c1ccc(cc1)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C22H32N4O4/c1-4-17(25-20(29)16-7-5-15(6-8-16)19(23)24)22(2,3)21(30)26-11-9-14(10-12-26)13-18(27)28/h5-8,14,17H,4,9-13H2,1-3H3,(H3,23,24)(H,25,29)(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Binding affinity to human fibrinogen receptor				J Med Chem 41: 2345-60 (1998) Article DOI: 10.1021/jm980126v BindingDB Entry DOI: 10.7270/Q2WD3ZPH
					More data for this Ligand-Target Pair
Chymase (Homo sapiens (Human))	BDBM50075109 (1,1-dimethyl-2-phenylcarboxamidoheptanoic anhydrid...) Show SMILES CCCCC(NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCCC)NC(=O)c1ccccc1 Show InChI InChI=1S/C32H44N2O5/c1-7-9-21-25(33-27(35)23-17-13-11-14-18-23)31(3,4)29(37)39-30(38)32(5,6)26(22-10-8-2)34-28(36)24-19-15-12-16-20-24/h11-20,25-26H,7-10,21-22H2,1-6H3,(H,33,35)(H,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Inhibitory activity against human chymase (h-chymase)				Bioorg Med Chem Lett 9: 413-8 (1999) BindingDB Entry DOI: 10.7270/Q2BK1BGC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50064921 (CHEMBL75645 | {1-[3-(4-Carbamimidoyl-benzoylamino)...) Show SMILES CCCC(NC(=O)c1ccc(cc1)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C23H34N4O4/c1-4-5-18(26-21(30)17-8-6-16(7-9-17)20(24)25)23(2,3)22(31)27-12-10-15(11-13-27)14-19(28)29/h6-9,15,18H,4-5,10-14H2,1-3H3,(H3,24,25)(H,26,30)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Binding affinity to human fibrinogen receptor				J Med Chem 41: 2345-60 (1998) Article DOI: 10.1021/jm980126v BindingDB Entry DOI: 10.7270/Q2WD3ZPH
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50064927 (CHEMBL76845 | {1-[3-(4-Carbamimidoyl-benzoylamino)...) Show SMILES CC(NC(=O)c1ccc(cc1)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C21H30N4O4/c1-13(24-19(28)16-6-4-15(5-7-16)18(22)23)21(2,3)20(29)25-10-8-14(9-11-25)12-17(26)27/h4-7,13-14H,8-12H2,1-3H3,(H3,22,23)(H,24,28)(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Binding affinity to human fibrinogen receptor				J Med Chem 41: 2345-60 (1998) Article DOI: 10.1021/jm980126v BindingDB Entry DOI: 10.7270/Q2WD3ZPH
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50075109 (1,1-dimethyl-2-phenylcarboxamidoheptanoic anhydrid...) Show SMILES CCCCC(NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCCC)NC(=O)c1ccccc1 Show InChI InChI=1S/C32H44N2O5/c1-7-9-21-25(33-27(35)23-17-13-11-14-18-23)31(3,4)29(37)39-30(38)32(5,6)26(22-10-8-2)34-28(36)24-19-15-12-16-20-24/h11-20,25-26H,7-10,21-22H2,1-6H3,(H,33,35)(H,34,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Inhibitory activity against bovine pancreatic alpha-chymotrypsin (alpha-CT)				Bioorg Med Chem Lett 9: 413-8 (1999) BindingDB Entry DOI: 10.7270/Q2BK1BGC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50064928 (CHEMBL78119 | [1-(3-{2-Fluoro-4-[imino-(4-methyl-p...) Show SMILES CCOC(=O)CC1CCN(CC1)C(=O)C(C)(C)C(CC)NC(=O)c1ccc(cc1F)C(=N)N1CCN(C)CC1 Show InChI InChI=1S/C29H44FN5O4/c1-6-24(29(3,4)28(38)35-12-10-20(11-13-35)18-25(36)39-7-2)32-27(37)22-9-8-21(19-23(22)30)26(31)34-16-14-33(5)15-17-34/h8-9,19-20,24,31H,6-7,10-18H2,1-5H3,(H,32,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Binding affinity to human fibrinogen receptor				J Med Chem 41: 2345-60 (1998) Article DOI: 10.1021/jm980126v BindingDB Entry DOI: 10.7270/Q2WD3ZPH
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50064931 (CHEMBL75623 | {1-[3-(2-Fluoro-4-{[4-(4-fluoro-phen...) Show SMILES CCOC(=O)CC1CCN(CC1)C(=O)C(C)(C)C(CC)NC(=O)c1ccc(cc1F)C(=N)N1CCN(CC1)c1ccc(F)cc1 Show InChI InChI=1S/C34H45F2N5O4/c1-5-29(34(3,4)33(44)41-15-13-23(14-16-41)21-30(42)45-6-2)38-32(43)27-12-7-24(22-28(27)36)31(37)40-19-17-39(18-20-40)26-10-8-25(35)9-11-26/h7-12,22-23,29,37H,5-6,13-21H2,1-4H3,(H,38,43)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Binding affinity to human fibrinogen receptor				J Med Chem 41: 2345-60 (1998) Article DOI: 10.1021/jm980126v BindingDB Entry DOI: 10.7270/Q2WD3ZPH
					More data for this Ligand-Target Pair
Chymase (Homo sapiens (Human))	BDBM50075107 (1,1-dimethyl-4-phenyl-2-propylcarboxamidopentanoic...) Show SMILES CCCC(=O)NC(CCc1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)CCC Show InChI InChI=1S/C34H48N2O5/c1-7-15-29(37)35-27(23-21-25-17-11-9-12-18-25)33(3,4)31(39)41-32(40)34(5,6)28(36-30(38)16-8-2)24-22-26-19-13-10-14-20-26/h9-14,17-20,27-28H,7-8,15-16,21-24H2,1-6H3,(H,35,37)(H,36,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Inhibitory activity against bovine pancreatic alpha-chymotrypsin (alpha-CT)				Bioorg Med Chem Lett 9: 413-8 (1999) BindingDB Entry DOI: 10.7270/Q2BK1BGC
					More data for this Ligand-Target Pair
Chymase (Homo sapiens (Human))	BDBM50075107 (1,1-dimethyl-4-phenyl-2-propylcarboxamidopentanoic...) Show SMILES CCCC(=O)NC(CCc1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)CCC Show InChI InChI=1S/C34H48N2O5/c1-7-15-29(37)35-27(23-21-25-17-11-9-12-18-25)33(3,4)31(39)41-32(40)34(5,6)28(36-30(38)16-8-2)24-22-26-19-13-10-14-20-26/h9-14,17-20,27-28H,7-8,15-16,21-24H2,1-6H3,(H,35,37)(H,36,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Inhibitory activity against human chymase (h-chymase)				Bioorg Med Chem Lett 9: 413-8 (1999) BindingDB Entry DOI: 10.7270/Q2BK1BGC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50064917 (CHEMBL74553 | {1-[3-(4-Carbamimidoyl-2-fluoro-benz...) Show SMILES CCCCC(NC(=O)c1ccc(cc1F)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C24H35FN4O4/c1-4-5-6-19(28-22(32)17-8-7-16(21(26)27)14-18(17)25)24(2,3)23(33)29-11-9-15(10-12-29)13-20(30)31/h7-8,14-15,19H,4-6,9-13H2,1-3H3,(H3,26,27)(H,28,32)(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Binding affinity to human fibrinogen receptor				J Med Chem 41: 2345-60 (1998) Article DOI: 10.1021/jm980126v BindingDB Entry DOI: 10.7270/Q2WD3ZPH
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50064918 (CHEMBL76882 | [1-(3-{2-Fluoro-4-[(4-hydroxy-piperi...) Show SMILES CCOC(=O)CC1CCN(CC1)C(=O)C(C)(C)C(CC)NC(=O)c1ccc(cc1F)C(=N)N1CCC(O)CC1 Show InChI InChI=1S/C29H43FN4O5/c1-5-24(29(3,4)28(38)34-13-9-19(10-14-34)17-25(36)39-6-2)32-27(37)22-8-7-20(18-23(22)30)26(31)33-15-11-21(35)12-16-33/h7-8,18-19,21,24,31,35H,5-6,9-17H2,1-4H3,(H,32,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Binding affinity to human fibrinogen receptor				J Med Chem 41: 2345-60 (1998) Article DOI: 10.1021/jm980126v BindingDB Entry DOI: 10.7270/Q2WD3ZPH
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM50075109 (1,1-dimethyl-2-phenylcarboxamidoheptanoic anhydrid...) Show SMILES CCCCC(NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCCC)NC(=O)c1ccccc1 Show InChI InChI=1S/C32H44N2O5/c1-7-9-21-25(33-27(35)23-17-13-11-14-18-23)31(3,4)29(37)39-30(38)32(5,6)26(22-10-8-2)34-28(36)24-19-15-12-16-20-24/h11-20,25-26H,7-10,21-22H2,1-6H3,(H,33,35)(H,34,36)	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	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Inhibitory activity against human leukocyte cathepsin G (h-CG)				Bioorg Med Chem Lett 9: 413-8 (1999) BindingDB Entry DOI: 10.7270/Q2BK1BGC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50064939 ((1-{3-[2-Fluoro-4-(imino-pyrrolidin-1-yl-methyl)-b...) Show SMILES CCOC(=O)CC1CCN(CC1)C(=O)C(C)(C)C(CC)NC(=O)c1ccc(cc1F)C(=N)N1CCCC1 Show InChI InChI=1S/C28H41FN4O4/c1-5-23(28(3,4)27(36)33-15-11-19(12-16-33)17-24(34)37-6-2)31-26(35)21-10-9-20(18-22(21)29)25(30)32-13-7-8-14-32/h9-10,18-19,23,30H,5-8,11-17H2,1-4H3,(H,31,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Binding affinity to human fibrinogen receptor				J Med Chem 41: 2345-60 (1998) Article DOI: 10.1021/jm980126v BindingDB Entry DOI: 10.7270/Q2WD3ZPH
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM50073123 ((S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-nonan...) Show SMILES CCCCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC Show InChI InChI=1S/C30H39N3O4/c1-5-7-8-12-15-26(33-27(34)24-18-16-23(21-31)17-19-24)30(3,4)29(36)32-25(28(35)37-6-2)20-22-13-10-9-11-14-22/h9-11,13-14,16-19,25-26H,5-8,12,15,20H2,1-4H3,(H,32,36)(H,33,34)/t25-,26?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Compound was tested by chromogenic assay for the inhibition of serine proteases like Human cathepsin G				J Med Chem 42: 312-23 (1999) Article DOI: 10.1021/jm980562h BindingDB Entry DOI: 10.7270/Q2930SBF
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50064934 (CHEMBL76851 | {1-[3-(4-Carbamimidoyl-benzoylamino)...) Show SMILES CC(C)C(NC(=O)c1ccc(cc1)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C23H34N4O4/c1-14(2)19(26-21(30)17-7-5-16(6-8-17)20(24)25)23(3,4)22(31)27-11-9-15(10-12-27)13-18(28)29/h5-8,14-15,19H,9-13H2,1-4H3,(H3,24,25)(H,26,30)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Binding affinity to human fibrinogen receptor				J Med Chem 41: 2345-60 (1998) Article DOI: 10.1021/jm980126v BindingDB Entry DOI: 10.7270/Q2WD3ZPH
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50073123 ((S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-nonan...) Show SMILES CCCCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC Show InChI InChI=1S/C30H39N3O4/c1-5-7-8-12-15-26(33-27(34)24-18-16-23(21-31)17-19-24)30(3,4)29(36)32-25(28(35)37-6-2)20-22-13-10-9-11-14-22/h9-11,13-14,16-19,25-26H,5-8,12,15,20H2,1-4H3,(H,32,36)(H,33,34)/t25-,26?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Compound was tested by chromogenic assay for the inhibition of serine proteases like Porcine Elastase				J Med Chem 42: 312-23 (1999) Article DOI: 10.1021/jm980562h BindingDB Entry DOI: 10.7270/Q2930SBF
					More data for this Ligand-Target Pair
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50073123 ((S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-nonan...) Show SMILES CCCCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC Show InChI InChI=1S/C30H39N3O4/c1-5-7-8-12-15-26(33-27(34)24-18-16-23(21-31)17-19-24)30(3,4)29(36)32-25(28(35)37-6-2)20-22-13-10-9-11-14-22/h9-11,13-14,16-19,25-26H,5-8,12,15,20H2,1-4H3,(H,32,36)(H,33,34)/t25-,26?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Compound was tested by chromogenic assay for the inhibition of serine proteases like Porcine Elastase				J Med Chem 42: 312-23 (1999) Article DOI: 10.1021/jm980562h BindingDB Entry DOI: 10.7270/Q2930SBF
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM50073123 ((S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-nonan...) Show SMILES CCCCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC Show InChI InChI=1S/C30H39N3O4/c1-5-7-8-12-15-26(33-27(34)24-18-16-23(21-31)17-19-24)30(3,4)29(36)32-25(28(35)37-6-2)20-22-13-10-9-11-14-22/h9-11,13-14,16-19,25-26H,5-8,12,15,20H2,1-4H3,(H,32,36)(H,33,34)/t25-,26?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Compound was tested by chromogenic assay for the inhibition of serine proteases like Human cathepsin G				J Med Chem 42: 312-23 (1999) Article DOI: 10.1021/jm980562h BindingDB Entry DOI: 10.7270/Q2930SBF
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM50073123 ((S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-nonan...) Show SMILES CCCCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC Show InChI InChI=1S/C30H39N3O4/c1-5-7-8-12-15-26(33-27(34)24-18-16-23(21-31)17-19-24)30(3,4)29(36)32-25(28(35)37-6-2)20-22-13-10-9-11-14-22/h9-11,13-14,16-19,25-26H,5-8,12,15,20H2,1-4H3,(H,32,36)(H,33,34)/t25-,26?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Compound was tested by chromogenic assay for the inhibition of serine proteases like Human cathepsin G				J Med Chem 42: 312-23 (1999) Article DOI: 10.1021/jm980562h BindingDB Entry DOI: 10.7270/Q2930SBF
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50075107 (1,1-dimethyl-4-phenyl-2-propylcarboxamidopentanoic...) Show SMILES CCCC(=O)NC(CCc1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)CCC Show InChI InChI=1S/C34H48N2O5/c1-7-15-29(37)35-27(23-21-25-17-11-9-12-18-25)33(3,4)31(39)41-32(40)34(5,6)28(36-30(38)16-8-2)24-22-26-19-13-10-14-20-26/h9-14,17-20,27-28H,7-8,15-16,21-24H2,1-6H3,(H,35,37)(H,36,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Inhibitory activity against bovine pancreatic alpha-chymotrypsin (alpha-CT)				Bioorg Med Chem Lett 9: 413-8 (1999) BindingDB Entry DOI: 10.7270/Q2BK1BGC
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50075107 (1,1-dimethyl-4-phenyl-2-propylcarboxamidopentanoic...) Show SMILES CCCC(=O)NC(CCc1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)CCC Show InChI InChI=1S/C34H48N2O5/c1-7-15-29(37)35-27(23-21-25-17-11-9-12-18-25)33(3,4)31(39)41-32(40)34(5,6)28(36-30(38)16-8-2)24-22-26-19-13-10-14-20-26/h9-14,17-20,27-28H,7-8,15-16,21-24H2,1-6H3,(H,35,37)(H,36,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Inhibitory activity against bovine pancreatic alpha-chymotrypsin (alpha-CT)				Bioorg Med Chem Lett 9: 413-8 (1999) BindingDB Entry DOI: 10.7270/Q2BK1BGC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50064919 (CHEMBL76960 | {1-[(E)-3-(4-Carbamimidoyl-benzoylam...) Show SMILES C\C=C\C(NC(=O)c1ccc(cc1)C(N)=N)C(C)(C)C(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C23H32N4O4/c1-4-5-18(26-21(30)17-8-6-16(7-9-17)20(24)25)23(2,3)22(31)27-12-10-15(11-13-27)14-19(28)29/h4-9,15,18H,10-14H2,1-3H3,(H3,24,25)(H,26,30)(H,28,29)/b5-4+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Binding affinity to human fibrinogen receptor				J Med Chem 41: 2345-60 (1998) Article DOI: 10.1021/jm980126v BindingDB Entry DOI: 10.7270/Q2WD3ZPH
					More data for this Ligand-Target Pair
Chymase (Homo sapiens (Human))	BDBM50075114 (1,1-dimethyl-2-phenylcarboxamidooctanoic anhydride...) Show SMILES CCCCCC(NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCCCC)NC(=O)c1ccccc1 Show InChI InChI=1S/C34H48N2O5/c1-7-9-13-23-27(35-29(37)25-19-15-11-16-20-25)33(3,4)31(39)41-32(40)34(5,6)28(24-14-10-8-2)36-30(38)26-21-17-12-18-22-26/h11-12,15-22,27-28H,7-10,13-14,23-24H2,1-6H3,(H,35,37)(H,36,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Inhibitory activity against human chymase (h-chymase)				Bioorg Med Chem Lett 9: 413-8 (1999) BindingDB Entry DOI: 10.7270/Q2BK1BGC
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM50075110 (2-(4-cyanophenylcarboxamido)-1,1-dimethyl-2-phenyl...) Show SMILES CC(C)(C(NC(=O)c1ccc(cc1)C#N)c1ccccc1)C(=O)OC(=O)C(C)(C)C(NC(=O)c1ccc(cc1)C#N)c1ccccc1 Show InChI InChI=1S/C38H34N4O5/c1-37(2,31(27-11-7-5-8-12-27)41-33(43)29-19-15-25(23-39)16-20-29)35(45)47-36(46)38(3,4)32(28-13-9-6-10-14-28)42-34(44)30-21-17-26(24-40)18-22-30/h5-22,31-32H,1-4H3,(H,41,43)(H,42,44)	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	15	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Inhibitory activity against human leukocyte cathepsin G (h-CG)				Bioorg Med Chem Lett 9: 413-8 (1999) BindingDB Entry DOI: 10.7270/Q2BK1BGC
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50075110 (2-(4-cyanophenylcarboxamido)-1,1-dimethyl-2-phenyl...) Show SMILES CC(C)(C(NC(=O)c1ccc(cc1)C#N)c1ccccc1)C(=O)OC(=O)C(C)(C)C(NC(=O)c1ccc(cc1)C#N)c1ccccc1 Show InChI InChI=1S/C38H34N4O5/c1-37(2,31(27-11-7-5-8-12-27)41-33(43)29-19-15-25(23-39)16-20-29)35(45)47-36(46)38(3,4)32(28-13-9-6-10-14-28)42-34(44)30-21-17-26(24-40)18-22-30/h5-22,31-32H,1-4H3,(H,41,43)(H,42,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Inhibitory activity against porcine pancreatic trypsin (TRP)				Bioorg Med Chem Lett 9: 413-8 (1999) BindingDB Entry DOI: 10.7270/Q2BK1BGC
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50075106 (1,1-dimethyl-4-phenyl-2-phenylcarboxamidopentanoic...) Show SMILES CC(C)(C(CCc1ccccc1)NC(=O)c1ccccc1)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C40H44N2O5/c1-39(2,33(27-25-29-17-9-5-10-18-29)41-35(43)31-21-13-7-14-22-31)37(45)47-38(46)40(3,4)34(28-26-30-19-11-6-12-20-30)42-36(44)32-23-15-8-16-24-32/h5-24,33-34H,25-28H2,1-4H3,(H,41,43)(H,42,44)	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
Nippon Steel Corporation Curated by ChEMBL					Assay Description Inhibitory activity against bovine pancreatic alpha-chymotrypsin (alpha-CT)				Bioorg Med Chem Lett 9: 413-8 (1999) BindingDB Entry DOI: 10.7270/Q2BK1BGC
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50075106 (1,1-dimethyl-4-phenyl-2-phenylcarboxamidopentanoic...) Show SMILES CC(C)(C(CCc1ccccc1)NC(=O)c1ccccc1)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C40H44N2O5/c1-39(2,33(27-25-29-17-9-5-10-18-29)41-35(43)31-21-13-7-14-22-31)37(45)47-38(46)40(3,4)34(28-26-30-19-11-6-12-20-30)42-36(44)32-23-15-8-16-24-32/h5-24,33-34H,25-28H2,1-4H3,(H,41,43)(H,42,44)	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
Nippon Steel Corporation Curated by ChEMBL					Assay Description Inhibitory activity against porcine pancreatic trypsin (TRP)				Bioorg Med Chem Lett 9: 413-8 (1999) BindingDB Entry DOI: 10.7270/Q2BK1BGC
					More data for this Ligand-Target Pair
Chymase (Homo sapiens (Human))	BDBM50075106 (1,1-dimethyl-4-phenyl-2-phenylcarboxamidopentanoic...) Show SMILES CC(C)(C(CCc1ccccc1)NC(=O)c1ccccc1)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C40H44N2O5/c1-39(2,33(27-25-29-17-9-5-10-18-29)41-35(43)31-21-13-7-14-22-31)37(45)47-38(46)40(3,4)34(28-26-30-19-11-6-12-20-30)42-36(44)32-23-15-8-16-24-32/h5-24,33-34H,25-28H2,1-4H3,(H,41,43)(H,42,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Inhibitory activity against human chymase (h-chymase)				Bioorg Med Chem Lett 9: 413-8 (1999) BindingDB Entry DOI: 10.7270/Q2BK1BGC
					More data for this Ligand-Target Pair
Chymase (Homo sapiens (Human))	BDBM50075106 (1,1-dimethyl-4-phenyl-2-phenylcarboxamidopentanoic...) Show SMILES CC(C)(C(CCc1ccccc1)NC(=O)c1ccccc1)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C40H44N2O5/c1-39(2,33(27-25-29-17-9-5-10-18-29)41-35(43)31-21-13-7-14-22-31)37(45)47-38(46)40(3,4)34(28-26-30-19-11-6-12-20-30)42-36(44)32-23-15-8-16-24-32/h5-24,33-34H,25-28H2,1-4H3,(H,41,43)(H,42,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Inhibitory activity against porcine pancreatic elastase (PPE)				Bioorg Med Chem Lett 9: 413-8 (1999) BindingDB Entry DOI: 10.7270/Q2BK1BGC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50064932 (CHEMBL76555 | {1-[3-(4-Carbamimidoyl-benzoylamino)...) Show SMILES CC(C)(C(NC(=O)c1ccc(cc1)C(N)=N)c1ccc2ccccc2c1)C(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C30H34N4O4/c1-30(2,29(38)34-15-13-19(14-16-34)17-25(35)36)26(24-12-7-20-5-3-4-6-23(20)18-24)33-28(37)22-10-8-21(9-11-22)27(31)32/h3-12,18-19,26H,13-17H2,1-2H3,(H3,31,32)(H,33,37)(H,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Binding affinity to human fibrinogen receptor				J Med Chem 41: 2345-60 (1998) Article DOI: 10.1021/jm980126v BindingDB Entry DOI: 10.7270/Q2WD3ZPH
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM50075107 (1,1-dimethyl-4-phenyl-2-propylcarboxamidopentanoic...) Show SMILES CCCC(=O)NC(CCc1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)C(CCc1ccccc1)NC(=O)CCC Show InChI InChI=1S/C34H48N2O5/c1-7-15-29(37)35-27(23-21-25-17-11-9-12-18-25)33(3,4)31(39)41-32(40)34(5,6)28(36-30(38)16-8-2)24-22-26-19-13-10-14-20-26/h9-14,17-20,27-28H,7-8,15-16,21-24H2,1-6H3,(H,35,37)(H,36,38)	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	21	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Inhibitory activity against human leukocyte cathepsin G (h-CG)				Bioorg Med Chem Lett 9: 413-8 (1999) BindingDB Entry DOI: 10.7270/Q2BK1BGC
					More data for this Ligand-Target Pair

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