Compile Data Set for Download or QSAR

Found 332 hits with Last Name = 'fujiyasu' 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
Trypsinogen 16 (Mus musculus (Mouse))	BDBM193349 (US9199927, 108 | US9199927, 60) Show SMILES CC(C(=O)N(CC(O)=O)Cc1cccc(c1)C(O)=O)c1ccc(OC(=O)c2ccc(NC(N)=N)cc2)cc1Cl Show InChI InChI=1S/C27H25ClN4O7/c1-15(24(35)32(14-23(33)34)13-16-3-2-4-18(11-16)25(36)37)21-10-9-20(12-22(21)28)39-26(38)17-5-7-19(8-6-17)31-27(29)30/h2-12,15H,13-14H2,1H3,(H,33,34)(H,36,37)(H4,29,30,31)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.140	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Trypsinogen 16 (Mus musculus (Mouse))	BDBM193350 (US9199927, 61) Show SMILES CN(C(=O)N(CC(O)=O)Cc1cccc(c1)C(O)=O)c1ccc(OC(=O)c2ccc(NC(N)=N)cc2)cc1Cl Show InChI InChI=1S/C26H24ClN5O7/c1-31(26(38)32(14-22(33)34)13-15-3-2-4-17(11-15)23(35)36)21-10-9-19(12-20(21)27)39-24(37)16-5-7-18(8-6-16)30-25(28)29/h2-12H,13-14H2,1H3,(H,33,34)(H,35,36)(H4,28,29,30)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.140	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Trypsinogen 16 (Mus musculus (Mouse))	BDBM193317 (US9199927, 28) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc2nc(ccc2c1)C(=O)NC(CC(O)=O)c1ccccc1 Show InChI InChI=1S/C27H23N5O5/c28-27(29)30-19-9-6-17(7-10-19)26(36)37-20-11-13-21-18(14-20)8-12-22(31-21)25(35)32-23(15-24(33)34)16-4-2-1-3-5-16/h1-14,23H,15H2,(H,32,35)(H,33,34)(H4,28,29,30)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.170	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Trypsinogen 16 (Mus musculus (Mouse))	BDBM193313 (US9199927, 24) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1cc(F)c(CC(=O)N[C@@H](Cc2ccccc2)C(O)=O)c(F)c1 |r| Show InChI InChI=1S/C25H22F2N4O5/c26-19-11-17(36-24(35)15-6-8-16(9-7-15)30-25(28)29)12-20(27)18(19)13-22(32)31-21(23(33)34)10-14-4-2-1-3-5-14/h1-9,11-12,21H,10,13H2,(H,31,32)(H,33,34)(H4,28,29,30)/t21-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.170	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Trypsinogen 16 (Mus musculus (Mouse))	BDBM193351 (US9199927, 62) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CCC(=O)N(CC(O)=O)Cc2ccccc2)c(Cl)c1 Show InChI InChI=1S/C26H25ClN4O5/c27-22-14-21(36-25(35)19-6-10-20(11-7-19)30-26(28)29)12-8-18(22)9-13-23(32)31(16-24(33)34)15-17-4-2-1-3-5-17/h1-8,10-12,14H,9,13,15-16H2,(H,33,34)(H4,28,29,30)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.170	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM193290 (US9199927, 1) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CC(=O)N[C@@H](Cc2ccc(O)cc2)C(O)=O)c(Cl)c1 |r| Show InChI InChI=1S/C25H23ClN4O6/c26-20-13-19(36-24(35)15-3-6-17(7-4-15)29-25(27)28)10-5-16(20)12-22(32)30-21(23(33)34)11-14-1-8-18(31)9-2-14/h1-10,13,21,31H,11-12H2,(H,30,32)(H,33,34)(H4,27,28,29)/t21-/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	0.170	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Trypsinogen 16 (Mus musculus (Mouse))	BDBM193310 (US9199927, 21) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc2nc(ccc2c1)C(=O)NC(C(O)=O)c1ccccc1 Show InChI InChI=1S/C26H21N5O5/c27-26(28)29-18-9-6-16(7-10-18)25(35)36-19-11-13-20-17(14-19)8-12-21(30-20)23(32)31-22(24(33)34)15-4-2-1-3-5-15/h1-14,22H,(H,31,32)(H,33,34)(H4,27,28,29)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.170	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Trypsinogen 16 (Mus musculus (Mouse))	BDBM193315 (US9199927, 26) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(O)=O)c(Cl)c1Cl |r| Show InChI InChI=1S/C25H22Cl2N4O5/c26-21-16(13-20(32)31-18(23(33)34)12-14-4-2-1-3-5-14)8-11-19(22(21)27)36-24(35)15-6-9-17(10-7-15)30-25(28)29/h1-11,18H,12-13H2,(H,31,32)(H,33,34)(H4,28,29,30)/t18-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.180	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM193360 (US9199927, 71) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc2nc(ccc2c1)C(=O)N[C@H](Cc1ccc(OCC(O)=O)cc1)C(O)=O |r| Show InChI InChI=1S/C29H25N5O8/c30-29(31)32-19-6-3-17(4-7-19)28(40)42-21-10-12-22-18(14-21)5-11-23(33-22)26(37)34-24(27(38)39)13-16-1-8-20(9-2-16)41-15-25(35)36/h1-12,14,24H,13,15H2,(H,34,37)(H,35,36)(H,38,39)(H4,30,31,32)/t24-/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	0.180	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Trypsinogen 16 (Mus musculus (Mouse))	BDBM193304 (US9199927, 15) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(O)=O)c(Cl)c1 |r| Show InChI InChI=1S/C25H22Cl2N4O5/c26-17-6-1-14(2-7-17)11-21(23(33)34)31-22(32)12-16-5-10-19(13-20(16)27)36-24(35)15-3-8-18(9-4-15)30-25(28)29/h1-10,13,21H,11-12H2,(H,31,32)(H,33,34)(H4,28,29,30)/t21-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.190	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM193349 (US9199927, 108 | US9199927, 60) Show SMILES CC(C(=O)N(CC(O)=O)Cc1cccc(c1)C(O)=O)c1ccc(OC(=O)c2ccc(NC(N)=N)cc2)cc1Cl Show InChI InChI=1S/C27H25ClN4O7/c1-15(24(35)32(14-23(33)34)13-16-3-2-4-18(11-16)25(36)37)21-10-9-20(12-22(21)28)39-26(38)17-5-7-19(8-6-17)31-27(29)30/h2-12,15H,13-14H2,1H3,(H,33,34)(H,36,37)(H4,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.190	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Trypsinogen 16 (Mus musculus (Mouse))	BDBM193290 (US9199927, 1) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CC(=O)N[C@@H](Cc2ccc(O)cc2)C(O)=O)c(Cl)c1 |r| Show InChI InChI=1S/C25H23ClN4O6/c26-20-13-19(36-24(35)15-3-6-17(7-4-15)29-25(27)28)10-5-16(20)12-22(32)30-21(23(33)34)11-14-1-8-18(31)9-2-14/h1-10,13,21,31H,11-12H2,(H,30,32)(H,33,34)(H4,27,28,29)/t21-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.190	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Trypsinogen 16 (Mus musculus (Mouse))	BDBM193316 (US9199927, 27) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1cc(Cl)c(CC(=O)N[C@@H](Cc2ccccc2)C(O)=O)c(Cl)c1 |r| Show InChI InChI=1S/C25H22Cl2N4O5/c26-19-11-17(36-24(35)15-6-8-16(9-7-15)30-25(28)29)12-20(27)18(19)13-22(32)31-21(23(33)34)10-14-4-2-1-3-5-14/h1-9,11-12,21H,10,13H2,(H,31,32)(H,33,34)(H4,28,29,30)/t21-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.190	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Trypsinogen 16 (Mus musculus (Mouse))	BDBM193319 (US9199927, 30) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CC(=O)N[C@@H](Cc2cccc(F)c2)C(O)=O)c(Cl)c1 |r| Show InChI InChI=1S/C25H22ClFN4O5/c26-20-13-19(36-24(35)15-4-7-18(8-5-15)30-25(28)29)9-6-16(20)12-22(32)31-21(23(33)34)11-14-2-1-3-17(27)10-14/h1-10,13,21H,11-12H2,(H,31,32)(H,33,34)(H4,28,29,30)/t21-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.190	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Trypsinogen 16 (Mus musculus (Mouse))	BDBM193311 (US9199927, 22) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc2nc(ccc2c1)C(=O)Nc1ccc(CC(O)=O)cc1 Show InChI InChI=1S/C26H21N5O5/c27-26(28)30-19-8-3-16(4-9-19)25(35)36-20-10-12-21-17(14-20)5-11-22(31-21)24(34)29-18-6-1-15(2-7-18)13-23(32)33/h1-12,14H,13H2,(H,29,34)(H,32,33)(H4,27,28,30)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM193304 (US9199927, 15) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(O)=O)c(Cl)c1 |r| Show InChI InChI=1S/C25H22Cl2N4O5/c26-17-6-1-14(2-7-17)11-21(23(33)34)31-22(32)12-16-5-10-19(13-20(16)27)36-24(35)15-3-8-18(9-4-15)30-25(28)29/h1-10,13,21H,11-12H2,(H,31,32)(H,33,34)(H4,28,29,30)/t21-/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	0.200	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Trypsinogen 16 (Mus musculus (Mouse))	BDBM193318 (US9199927, 29) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CC(=O)N[C@@H](Cc2ccccc2F)C(O)=O)c(Cl)c1 |r| Show InChI InChI=1S/C25H22ClFN4O5/c26-19-13-18(36-24(35)14-5-8-17(9-6-14)30-25(28)29)10-7-15(19)12-22(32)31-21(23(33)34)11-16-3-1-2-4-20(16)27/h1-10,13,21H,11-12H2,(H,31,32)(H,33,34)(H4,28,29,30)/t21-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.210	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Trypsinogen 16 (Mus musculus (Mouse))	BDBM193349 (US9199927, 108 | US9199927, 60) Show SMILES CC(C(=O)N(CC(O)=O)Cc1cccc(c1)C(O)=O)c1ccc(OC(=O)c2ccc(NC(N)=N)cc2)cc1Cl Show InChI InChI=1S/C27H25ClN4O7/c1-15(24(35)32(14-23(33)34)13-16-3-2-4-18(11-16)25(36)37)21-10-9-20(12-22(21)28)39-26(38)17-5-7-19(8-6-17)31-27(29)30/h2-12,15H,13-14H2,1H3,(H,33,34)(H,36,37)(H4,29,30,31)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.210	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM193369 (US9199927, 80) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc2nc(ccc2c1)C(=O)N(CC(O)=O)Cc1csc(c1)C(O)=O Show InChI InChI=1S/C26H21N5O7S/c27-26(28)29-17-4-1-15(2-5-17)25(37)38-18-6-8-19-16(10-18)3-7-20(30-19)23(34)31(12-22(32)33)11-14-9-21(24(35)36)39-13-14/h1-10,13H,11-12H2,(H,32,33)(H,35,36)(H4,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.210	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM193349 (US9199927, 108 | US9199927, 60) Show SMILES CC(C(=O)N(CC(O)=O)Cc1cccc(c1)C(O)=O)c1ccc(OC(=O)c2ccc(NC(N)=N)cc2)cc1Cl Show InChI InChI=1S/C27H25ClN4O7/c1-15(24(35)32(14-23(33)34)13-16-3-2-4-18(11-16)25(36)37)21-10-9-20(12-22(21)28)39-26(38)17-5-7-19(8-6-17)31-27(29)30/h2-12,15H,13-14H2,1H3,(H,33,34)(H,36,37)(H4,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.210	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM193313 (US9199927, 24) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1cc(F)c(CC(=O)N[C@@H](Cc2ccccc2)C(O)=O)c(F)c1 |r| Show InChI InChI=1S/C25H22F2N4O5/c26-19-11-17(36-24(35)15-6-8-16(9-7-15)30-25(28)29)12-20(27)18(19)13-22(32)31-21(23(33)34)10-14-4-2-1-3-5-14/h1-9,11-12,21H,10,13H2,(H,31,32)(H,33,34)(H4,28,29,30)/t21-/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	0.210	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Trypsinogen 16 (Mus musculus (Mouse))	BDBM193303 (US9199927, 14) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CC(=O)N[C@@H](Cc2ccc(F)cc2)C(O)=O)c(Cl)c1 |r| Show InChI InChI=1S/C25H22ClFN4O5/c26-20-13-19(36-24(35)15-3-8-18(9-4-15)30-25(28)29)10-5-16(20)12-22(32)31-21(23(33)34)11-14-1-6-17(27)7-2-14/h1-10,13,21H,11-12H2,(H,31,32)(H,33,34)(H4,28,29,30)/t21-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.220	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM193414 (US9199927, 96) Show SMILES CC(C)(Oc1ccc(C[C@H](NC(=O)CCc2ccc(OC(=O)c3ccc(NC(N)=N)cc3)cc2Cl)C(O)=O)cc1)C(O)=O |r| Show InChI InChI=1S/C30H31ClN4O8/c1-30(2,28(40)41)43-21-11-3-17(4-12-21)15-24(26(37)38)35-25(36)14-8-18-7-13-22(16-23(18)31)42-27(39)19-5-9-20(10-6-19)34-29(32)33/h3-7,9-13,16,24H,8,14-15H2,1-2H3,(H,35,36)(H,37,38)(H,40,41)(H4,32,33,34)/t24-/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	0.220	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Trypsinogen 16 (Mus musculus (Mouse))	BDBM193360 (US9199927, 71) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc2nc(ccc2c1)C(=O)N[C@H](Cc1ccc(OCC(O)=O)cc1)C(O)=O |r| Show InChI InChI=1S/C29H25N5O8/c30-29(31)32-19-6-3-17(4-7-19)28(40)42-21-10-12-22-18(14-21)5-11-23(33-22)26(37)34-24(27(38)39)13-16-1-8-20(9-2-16)41-15-25(35)36/h1-12,14,24H,13,15H2,(H,34,37)(H,35,36)(H,38,39)(H4,30,31,32)/t24-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.230	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM193350 (US9199927, 61) Show SMILES CN(C(=O)N(CC(O)=O)Cc1cccc(c1)C(O)=O)c1ccc(OC(=O)c2ccc(NC(N)=N)cc2)cc1Cl Show InChI InChI=1S/C26H24ClN5O7/c1-31(26(38)32(14-22(33)34)13-15-3-2-4-17(11-15)23(35)36)21-10-9-19(12-20(21)27)39-24(37)16-5-7-18(8-6-16)30-25(28)29/h2-12H,13-14H2,1H3,(H,33,34)(H,35,36)(H4,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.230	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM193305 (US9199927, 16) Show SMILES COc1ccc(C[C@H](NC(=O)Cc2ccc(OC(=O)c3ccc(NC(N)=N)cc3)cc2Cl)C(O)=O)cc1 |r| Show InChI InChI=1S/C26H25ClN4O6/c1-36-19-9-2-15(3-10-19)12-22(24(33)34)31-23(32)13-17-6-11-20(14-21(17)27)37-25(35)16-4-7-18(8-5-16)30-26(28)29/h2-11,14,22H,12-13H2,1H3,(H,31,32)(H,33,34)(H4,28,29,30)/t22-/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	0.230	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM193303 (US9199927, 14) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CC(=O)N[C@@H](Cc2ccc(F)cc2)C(O)=O)c(Cl)c1 |r| Show InChI InChI=1S/C25H22ClFN4O5/c26-20-13-19(36-24(35)15-3-8-18(9-4-15)30-25(28)29)10-5-16(20)12-22(32)31-21(23(33)34)11-14-1-6-17(27)7-2-14/h1-10,13,21H,11-12H2,(H,31,32)(H,33,34)(H4,28,29,30)/t21-/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	0.230	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Trypsinogen 16 (Mus musculus (Mouse))	BDBM193323 (US9199927, 34) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(O)=O)c(c1)C1CC1 |r| Show InChI InChI=1S/C28H28N4O5/c29-28(30)31-21-11-8-19(9-12-21)27(36)37-22-13-10-20(23(16-22)18-6-7-18)15-25(33)32-24(26(34)35)14-17-4-2-1-3-5-17/h1-5,8-13,16,18,24H,6-7,14-15H2,(H,32,33)(H,34,35)(H4,29,30,31)/t24-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.240	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM193395 (US9199927, 113) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc2nc(ccc2c1)C(=O)N(CC(O)=O)Cc1ccc(CC(O)=O)cc1 Show InChI InChI=1S/C29H25N5O7/c30-29(31)32-21-8-5-19(6-9-21)28(40)41-22-10-12-23-20(14-22)7-11-24(33-23)27(39)34(16-26(37)38)15-18-3-1-17(2-4-18)13-25(35)36/h1-12,14H,13,15-16H2,(H,35,36)(H,37,38)(H4,30,31,32)	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	0.240	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM193317 (US9199927, 28) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc2nc(ccc2c1)C(=O)NC(CC(O)=O)c1ccccc1 Show InChI InChI=1S/C27H23N5O5/c28-27(29)30-19-9-6-17(7-10-19)26(36)37-20-11-13-21-18(14-20)8-12-22(31-21)25(35)32-23(15-24(33)34)16-4-2-1-3-5-16/h1-14,23H,15H2,(H,32,35)(H,33,34)(H4,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.240	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Trypsinogen 16 (Mus musculus (Mouse))	BDBM193314 (US9199927, 25) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(O)=O)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C26H23F3N4O5/c27-26(28,29)20-14-19(38-24(37)16-6-9-18(10-7-16)32-25(30)31)11-8-17(20)13-22(34)33-21(23(35)36)12-15-4-2-1-3-5-15/h1-11,14,21H,12-13H2,(H,33,34)(H,35,36)(H4,30,31,32)/t21-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.25	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM193310 (US9199927, 21) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc2nc(ccc2c1)C(=O)NC(C(O)=O)c1ccccc1 Show InChI InChI=1S/C26H21N5O5/c27-26(28)29-18-9-6-16(7-10-18)25(35)36-19-11-13-20-17(14-19)8-12-21(30-20)23(32)31-22(24(33)34)15-4-2-1-3-5-15/h1-14,22H,(H,31,32)(H,33,34)(H4,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.260	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Trypsinogen 16 (Mus musculus (Mouse))	BDBM193305 (US9199927, 16) Show SMILES COc1ccc(C[C@H](NC(=O)Cc2ccc(OC(=O)c3ccc(NC(N)=N)cc3)cc2Cl)C(O)=O)cc1 |r| Show InChI InChI=1S/C26H25ClN4O6/c1-36-19-9-2-15(3-10-19)12-22(24(33)34)31-23(32)13-17-6-11-20(14-21(17)27)37-25(35)16-4-7-18(8-5-16)30-26(28)29/h2-11,14,22H,12-13H2,1H3,(H,31,32)(H,33,34)(H4,28,29,30)/t22-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.260	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM193319 (US9199927, 30) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CC(=O)N[C@@H](Cc2cccc(F)c2)C(O)=O)c(Cl)c1 |r| Show InChI InChI=1S/C25H22ClFN4O5/c26-20-13-19(36-24(35)15-4-7-18(8-5-15)30-25(28)29)9-6-16(20)12-22(32)31-21(23(33)34)11-14-2-1-3-17(27)10-14/h1-10,13,21H,11-12H2,(H,31,32)(H,33,34)(H4,28,29,30)/t21-/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	0.260	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM193316 (US9199927, 27) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1cc(Cl)c(CC(=O)N[C@@H](Cc2ccccc2)C(O)=O)c(Cl)c1 |r| Show InChI InChI=1S/C25H22Cl2N4O5/c26-19-11-17(36-24(35)15-6-8-16(9-7-15)30-25(28)29)12-20(27)18(19)13-22(32)31-21(23(33)34)10-14-4-2-1-3-5-14/h1-9,11-12,21H,10,13H2,(H,31,32)(H,33,34)(H4,28,29,30)/t21-/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	0.260	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Trypsinogen 16 (Mus musculus (Mouse))	BDBM193306 (US9199927, 17) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(O)=O)c(c1)-c1ccccc1 |r| Show InChI InChI=1S/C31H28N4O5/c32-31(33)34-24-14-11-22(12-15-24)30(39)40-25-16-13-23(26(19-25)21-9-5-2-6-10-21)18-28(36)35-27(29(37)38)17-20-7-3-1-4-8-20/h1-16,19,27H,17-18H2,(H,35,36)(H,37,38)(H4,32,33,34)/t27-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.270	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM193348 (US9199927, 59) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc2nc(ccc2c1)C(=O)N(CC(O)=O)Cc1cccc(c1)C(O)=O Show InChI InChI=1S/C28H23N5O7/c29-28(30)31-20-7-4-17(5-8-20)27(39)40-21-9-11-22-18(13-21)6-10-23(32-22)25(36)33(15-24(34)35)14-16-2-1-3-19(12-16)26(37)38/h1-13H,14-15H2,(H,34,35)(H,37,38)(H4,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.270	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Trypsinogen 16 (Mus musculus (Mouse))	BDBM193312 (US9199927, 23) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CCC(=O)N[C@H](CC(O)=O)c2ccccc2)c(Cl)c1 |r| Show InChI InChI=1S/C26H25ClN4O5/c27-21-14-20(36-25(35)18-6-10-19(11-7-18)30-26(28)29)12-8-16(21)9-13-23(32)31-22(15-24(33)34)17-4-2-1-3-5-17/h1-8,10-12,14,22H,9,13,15H2,(H,31,32)(H,33,34)(H4,28,29,30)/t22-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.280	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Trypsinogen 16 (Mus musculus (Mouse))	BDBM193395 (US9199927, 113) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc2nc(ccc2c1)C(=O)N(CC(O)=O)Cc1ccc(CC(O)=O)cc1 Show InChI InChI=1S/C29H25N5O7/c30-29(31)32-21-8-5-19(6-9-21)28(40)41-22-10-12-23-20(14-22)7-11-24(33-23)27(39)34(16-26(37)38)15-18-3-1-17(2-4-18)13-25(35)36/h1-12,14H,13,15-16H2,(H,35,36)(H,37,38)(H4,30,31,32)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.280	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Trypsinogen 16 (Mus musculus (Mouse))	BDBM193324 (US9199927, 35) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CC(=O)N(CCc2ccccc2)CC(O)=O)c(Cl)c1 Show InChI InChI=1S/C26H25ClN4O5/c27-22-15-21(36-25(35)18-6-9-20(10-7-18)30-26(28)29)11-8-19(22)14-23(32)31(16-24(33)34)13-12-17-4-2-1-3-5-17/h1-11,15H,12-14,16H2,(H,33,34)(H4,28,29,30)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.280	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM193311 (US9199927, 22) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc2nc(ccc2c1)C(=O)Nc1ccc(CC(O)=O)cc1 Show InChI InChI=1S/C26H21N5O5/c27-26(28)30-19-8-3-16(4-9-19)25(35)36-20-10-12-21-17(14-20)5-11-22(31-21)24(34)29-18-6-1-15(2-7-18)13-23(32)33/h1-12,14H,13H2,(H,29,34)(H,32,33)(H4,27,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	0.290	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM193314 (US9199927, 25) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(O)=O)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C26H23F3N4O5/c27-26(28,29)20-14-19(38-24(37)16-6-9-18(10-7-16)32-25(30)31)11-8-17(20)13-22(34)33-21(23(35)36)12-15-4-2-1-3-5-15/h1-11,14,21H,12-13H2,(H,33,34)(H,35,36)(H4,30,31,32)/t21-/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	0.290	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM193415 (US9199927, 102) Show SMILES C[C@@H](N(Cc1csc(c1)C(O)=O)C(=O)c1ccc2cc(OC(=O)c3ccc(NC(N)=N)cc3)ccc2n1)C(O)=O |r| Show InChI InChI=1S/C27H23N5O7S/c1-14(24(34)35)32(12-15-10-22(25(36)37)40-13-15)23(33)21-8-4-17-11-19(7-9-20(17)31-21)39-26(38)16-2-5-18(6-3-16)30-27(28)29/h2-11,13-14H,12H2,1H3,(H,34,35)(H,36,37)(H4,28,29,30)/t14-/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	0.290	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM193351 (US9199927, 62) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CCC(=O)N(CC(O)=O)Cc2ccccc2)c(Cl)c1 Show InChI InChI=1S/C26H25ClN4O5/c27-22-14-21(36-25(35)19-6-10-20(11-7-19)30-26(28)29)12-8-18(22)9-13-23(32)31(16-24(33)34)15-17-4-2-1-3-5-17/h1-8,10-12,14H,9,13,15-16H2,(H,33,34)(H4,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.290	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM193315 (US9199927, 26) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(O)=O)c(Cl)c1Cl |r| Show InChI InChI=1S/C25H22Cl2N4O5/c26-21-16(13-20(32)31-18(23(33)34)12-14-4-2-1-3-5-14)8-11-19(22(21)27)36-24(35)15-6-9-17(10-7-15)30-25(28)29/h1-11,18H,12-13H2,(H,31,32)(H,33,34)(H4,28,29,30)/t18-/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	0.290	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Trypsinogen 16 (Mus musculus (Mouse))	BDBM193369 (US9199927, 80) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc2nc(ccc2c1)C(=O)N(CC(O)=O)Cc1csc(c1)C(O)=O Show InChI InChI=1S/C26H21N5O7S/c27-26(28)29-17-4-1-15(2-5-17)25(37)38-18-6-8-19-16(10-18)3-7-20(30-19)23(34)31(12-22(32)33)11-14-9-21(24(35)36)39-13-14/h1-10,13H,11-12H2,(H,32,33)(H,35,36)(H4,27,28,29)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM193341 (US9199927, 52) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CCC(=O)NCc2ccccc2C(O)=O)c(Cl)c1 Show InChI InChI=1S/C25H23ClN4O5/c26-21-13-19(35-24(34)16-5-9-18(10-6-16)30-25(27)28)11-7-15(21)8-12-22(31)29-14-17-3-1-2-4-20(17)23(32)33/h1-7,9-11,13H,8,12,14H2,(H,29,31)(H,32,33)(H4,27,28,30)	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	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Trypsinogen 16 (Mus musculus (Mouse))	BDBM193415 (US9199927, 102) Show SMILES C[C@@H](N(Cc1csc(c1)C(O)=O)C(=O)c1ccc2cc(OC(=O)c3ccc(NC(N)=N)cc3)ccc2n1)C(O)=O |r| Show InChI InChI=1S/C27H23N5O7S/c1-14(24(34)35)32(12-15-10-22(25(36)37)40-13-15)23(33)21-8-4-17-11-19(7-9-20(17)31-21)39-26(38)16-2-5-18(6-3-16)30-27(28)29/h2-11,13-14H,12H2,1H3,(H,34,35)(H,36,37)(H4,28,29,30)/t14-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Trypsinogen 16 (Mus musculus (Mouse))	BDBM193330 (US9199927, 41) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CCC(=O)N(CC(O)=O)c2cccc(CC(O)=O)c2)c(Cl)c1 Show InChI InChI=1S/C27H25ClN4O7/c28-22-14-21(39-26(38)18-4-8-19(9-5-18)31-27(29)30)10-6-17(22)7-11-23(33)32(15-25(36)37)20-3-1-2-16(12-20)13-24(34)35/h1-6,8-10,12,14H,7,11,13,15H2,(H,34,35)(H,36,37)(H4,29,30,31)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.310	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair
Serine protease 1 (Homo sapiens (Human))	BDBM193320 (US9199927, 31) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CC(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)F)C(O)=O)c(Cl)c1 |r| Show InChI InChI=1S/C26H22ClF3N4O5/c27-20-13-19(39-24(38)15-3-8-18(9-4-15)33-25(31)32)10-5-16(20)12-22(35)34-21(23(36)37)11-14-1-6-17(7-2-14)26(28,29)30/h1-10,13,21H,11-12H2,(H,34,35)(H,36,37)(H4,31,32,33)/t21-/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	0.310	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 332 total )  |  Next  |  Last  >>

Jump to: