Compile Data Set for Download or QSAR

Found 482 hits with Last Name = 'bode' and Initial = 'w'   

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
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM23921 (3-amidinophenylalanine deriv., 63 | 3-amino-N-(3-{...) Show SMILES [#7]-[#6]-[#6]-[#6](=O)-[#7]-c1cccc(c1)S(=O)(=O)[#7]-[#6@@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-[#6]-1 |r| Show InChI InChI=1S/C28H41N9O4S/c29-12-9-25(38)35-22-7-2-8-23(18-22)42(40,41)36-24(17-20-4-1-6-21(16-20)26(30)31)27(39)37-14-10-19(11-15-37)5-3-13-34-28(32)33/h1-2,4,6-8,16,18-19,24,36H,3,5,9-15,17,29H2,(H3,30,31)(H,35,38)(H4,32,33,34)/t24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Chemistry GmbH					Assay Description The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...				J Med Chem 49: 4116-26 (2006) Article DOI: 10.1021/jm051272l BindingDB Entry DOI: 10.7270/Q21C1V64
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM23916 (3-amidinophenylalanine deriv., 12 | 3-amino-N-(3-{...) Show SMILES [#7]-[#6]-[#6]-[#6](=O)-[#7]-c1cccc(c1)S(=O)(=O)[#7]-[#6@@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]-[#6]-1 |r| Show InChI InChI=1S/C27H39N9O4S/c28-11-7-24(37)34-21-5-2-6-22(17-21)41(39,40)35-23(16-19-3-1-4-20(15-19)25(29)30)26(38)36-13-9-18(10-14-36)8-12-33-27(31)32/h1-6,15,17-18,23,35H,7-14,16,28H2,(H3,29,30)(H,34,37)(H4,31,32,33)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Chemistry GmbH					Assay Description The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...				J Med Chem 49: 4116-26 (2006) Article DOI: 10.1021/jm051272l BindingDB Entry DOI: 10.7270/Q21C1V64
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50245500 (CHEMBL447547 | N-[(2S)-1-(2-{[(1R)-1-{[(1R)-5-carb...) Show SMILES NC(N)=NCCCC[C@@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)C1CCN1C(=O)[C@H](CC1CCCCC1)NC(=O)C1CC[C@H](CN=C(N)N)CC1)C(N)=O |r,wU:12.21,30.40,wD:8.8,44.47,(.24,3.73,;1.02,2.4,;.26,1.06,;2.56,2.41,;3.34,1.08,;4.88,1.09,;5.66,-.24,;7.2,-.23,;7.97,-1.56,;7.21,-2.9,;5.67,-2.91,;4.89,-1.58,;4.91,-4.25,;5.69,-5.58,;7.23,-5.57,;8,-6.9,;9.53,-6.89,;10.3,-5.55,;11.84,-5.54,;9.51,-4.21,;7.99,-4.23,;3.37,-4.26,;2.61,-5.59,;3.38,-6.92,;1.07,-5.6,;-.03,-4.52,;-1.11,-5.61,;-.02,-6.71,;-.02,-8.25,;1.32,-9.01,;-1.35,-9.02,;-2.68,-8.25,;-4.01,-9.03,;-5.35,-8.26,;-6.68,-9.03,;-6.68,-10.57,;-5.34,-11.34,;-4,-10.57,;-1.34,-10.56,;-0,-11.33,;1.33,-10.55,;0,-12.87,;1.34,-13.63,;1.34,-15.18,;.01,-15.95,;.01,-17.49,;-1.33,-18.26,;-1.33,-19.8,;-2.66,-20.57,;.01,-20.57,;-1.33,-15.18,;-1.33,-13.64,;9.51,-1.55,;10.28,-.22,;10.29,-2.88,)| Show InChI InChI=1S/C38H61N11O6/c39-32(51)28(8-4-5-18-44-37(40)41)46-34(53)29(20-24-11-15-27(50)16-12-24)47-35(54)31-17-19-49(31)36(55)30(21-23-6-2-1-3-7-23)48-33(52)26-13-9-25(10-14-26)22-45-38(42)43/h11-12,15-16,23,25-26,28-31,50H,1-10,13-14,17-22H2,(H2,39,51)(H,46,53)(H,47,54)(H,48,52)(H4,40,41,44)(H4,42,43,45)/t25-,26?,28-,29-,30+,31?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie Curated by ChEMBL					Assay Description Inhibition of human thrombin				Eur J Med Chem 43: 1330-5 (2008) Article DOI: 10.1016/j.ejmech.2007.07.019 BindingDB Entry DOI: 10.7270/Q2SB45JZ
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM23918 (3-amidinophenylalanine deriv., 60 | 4-amino-N-(3-{...) Show SMILES NCCCC(=O)Nc1cccc(c1)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CCN)CC1 |r| Show InChI InChI=1S/C27H39N7O4S/c28-12-3-8-25(35)32-22-6-2-7-23(18-22)39(37,38)33-24(17-20-4-1-5-21(16-20)26(30)31)27(36)34-14-10-19(9-13-29)11-15-34/h1-2,4-7,16,18-19,24,33H,3,8-15,17,28-29H2,(H3,30,31)(H,32,35)/t24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Chemistry GmbH					Assay Description The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...				J Med Chem 49: 4116-26 (2006) Article DOI: 10.1021/jm051272l BindingDB Entry DOI: 10.7270/Q21C1V64
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM23915 (3-amidinophenylalanine deriv., 58 | 3-carbamimidam...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1cccc(-[#7]-[#6](=O)-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])c1 |r| Show InChI InChI=1S/C28H41N11O4S/c29-25(30)20-4-1-3-19(15-20)16-23(26(41)39-13-9-18(10-14-39)7-11-35-27(31)32)38-44(42,43)22-6-2-5-21(17-22)37-24(40)8-12-36-28(33)34/h1-6,15,17-18,23,38H,7-14,16H2,(H3,29,30)(H,37,40)(H4,31,32,35)(H4,33,34,36)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Chemistry GmbH					Assay Description The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...				J Med Chem 49: 4116-26 (2006) Article DOI: 10.1021/jm051272l BindingDB Entry DOI: 10.7270/Q21C1V64
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM23920 (3-amidinophenylalanine deriv., 62 | 3-amino-N-(3-{...) Show SMILES NCCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C27H39N7O4S/c28-12-3-5-19-10-14-34(15-11-19)27(36)24(17-20-4-1-6-21(16-20)26(30)31)33-39(37,38)23-8-2-7-22(18-23)32-25(35)9-13-29/h1-2,4,6-8,16,18-19,24,33H,3,5,9-15,17,28-29H2,(H3,30,31)(H,32,35)/t24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Chemistry GmbH					Assay Description The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...				J Med Chem 49: 4116-26 (2006) Article DOI: 10.1021/jm051272l BindingDB Entry DOI: 10.7270/Q21C1V64
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50072840 (CHEMBL346607 | N-[1-(4-Diaminomethyl-benzyl)-2-oxo...) Show SMILES NC(N)c1ccc(CC(NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1 Show InChI InChI=1S/C27H33N5O4S/c28-26(29)21-10-8-19(9-11-21)16-24(27(34)32-14-4-1-5-15-32)31-25(33)18-30-37(35,36)23-13-12-20-6-2-3-7-22(20)17-23/h2-3,6-13,17,24,26,30H,1,4-5,14-16,18,28-29H2,(H,31,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin expressed as dissociation constant				J Med Chem 41: 5445-56 (1999) Article DOI: 10.1021/jm981068g BindingDB Entry DOI: 10.7270/Q2KK99ZF
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50060033 (3-[3-(4-Methyl-piperidin-1-yl)-2-(naphthalene-2-su...) Show SMILES CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C26H30N4O3S/c1-18-11-13-30(14-12-18)26(31)24(16-19-5-4-8-22(15-19)25(27)28)29-34(32,33)23-10-9-20-6-2-3-7-21(20)17-23/h2-10,15,17-18,24,29H,11-14,16H2,1H3,(H3,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin expressed as dissociation constant				J Med Chem 41: 5445-56 (1999) Article DOI: 10.1021/jm981068g BindingDB Entry DOI: 10.7270/Q2KK99ZF
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM23917 (3-amidinophenylalanine deriv., 59 | 3-amino-N-(3-{...) Show SMILES NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CCN)c1 |r| Show InChI InChI=1S/C26H37N7O4S/c27-11-7-18-9-13-33(14-10-18)26(35)23(16-19-3-1-4-20(15-19)25(29)30)32-38(36,37)22-6-2-5-21(17-22)31-24(34)8-12-28/h1-6,15,17-18,23,32H,7-14,16,27-28H2,(H3,29,30)(H,31,34)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Chemistry GmbH					Assay Description The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...				J Med Chem 49: 4116-26 (2006) Article DOI: 10.1021/jm051272l BindingDB Entry DOI: 10.7270/Q21C1V64
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50041224 ((R)-3-(7-Carbamimidoyl-naphthalen-2-yl)-2-{4-[(S)-...) Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)[C@@H](Cc1ccc2ccc(cc2c1)C(N)=N)C(O)=O Show InChI InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/t23-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie Curated by ChEMBL					Assay Description Binding affinity of the compound towards Coagulation factor X				J Med Chem 41: 4240-50 (1998) Article DOI: 10.1021/jm980227t BindingDB Entry DOI: 10.7270/Q27D2T86
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50072851 (1-[3-(3-Carbamimidoyl-phenyl)-2-(naphthalene-2-sul...) Show SMILES CCOC(=O)C1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C28H32N4O5S/c1-2-37-28(34)21-12-14-32(15-13-21)27(33)25(17-19-6-5-9-23(16-19)26(29)30)31-38(35,36)24-11-10-20-7-3-4-8-22(20)18-24/h3-11,16,18,21,25,31H,2,12-15,17H2,1H3,(H3,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie Curated by ChEMBL					Assay Description Inhibitory activity against bovine trypsin expressed as dissociation constant				J Med Chem 41: 5445-56 (1999) Article DOI: 10.1021/jm981068g BindingDB Entry DOI: 10.7270/Q2KK99ZF
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM23913 (3-amidinophenylalanine deriv., 56 | 3-carbamimidam...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1ccc(-[#7]-[#6](=O)-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])cc1 |r| Show InChI InChI=1S/C28H41N11O4S/c29-25(30)20-3-1-2-19(16-20)17-23(26(41)39-14-10-18(11-15-39)8-12-35-27(31)32)38-44(42,43)22-6-4-21(5-7-22)37-24(40)9-13-36-28(33)34/h1-7,16,18,23,38H,8-15,17H2,(H3,29,30)(H,37,40)(H4,31,32,35)(H4,33,34,36)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Chemistry GmbH					Assay Description The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...				J Med Chem 49: 4116-26 (2006) Article DOI: 10.1021/jm051272l BindingDB Entry DOI: 10.7270/Q21C1V64
					More data for this Ligand-Target Pair				3D Structure (docked)
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM23911 (3-[(2S)-3-[4-(2-carbamimidamidoethyl)piperidin-1-y...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1ccc(-[#8]-c2ccccc2)nc1 |r| Show InChI InChI=1S/C29H36N8O4S/c30-27(31)22-6-4-5-21(17-22)18-25(28(38)37-15-12-20(13-16-37)11-14-34-29(32)33)36-42(39,40)24-9-10-26(35-19-24)41-23-7-2-1-3-8-23/h1-10,17,19-20,25,36H,11-16,18H2,(H3,30,31)(H4,32,33,34)/t25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Chemistry GmbH					Assay Description The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...				J Med Chem 49: 4116-26 (2006) Article DOI: 10.1021/jm051272l BindingDB Entry DOI: 10.7270/Q21C1V64
					More data for this Ligand-Target Pair
Coagulation factor X (Bos taurus)	BDBM50072843 (2,7-Bis-(4-diaminomethyl-benzylidene)-cycloheptano...) Show SMILES NC(N)c1ccc(\C=C2/CCCC\C(=C/c3ccc(cc3)C(N)N)C2=O)cc1 Show InChI InChI=1S/C23H28N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-14,22-23H,1-4,24-27H2/b19-13+,20-14+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie Curated by ChEMBL					Assay Description Inhibitory activity against bovine coagulation factor X expressed as dissociation constant				J Med Chem 41: 5445-56 (1999) Article DOI: 10.1021/jm981068g BindingDB Entry DOI: 10.7270/Q2KK99ZF
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM23896 (3-amidinophenylalanine deriv., 40 | N-(2-carbamimi...) Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#7]-[#6](=O)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1ccc2-[#6](=O)-c3ccccc3-[#6](=O)-c2c1 |r| Show InChI InChI=1S/C33H36N8O6S/c34-30(35)21-5-3-4-19(16-21)17-27(32(45)41-14-10-20(11-15-41)31(44)38-12-13-39-33(36)37)40-48(46,47)22-8-9-25-26(18-22)29(43)24-7-2-1-6-23(24)28(25)42/h1-9,16,18,20,27,40H,10-15,17H2,(H3,34,35)(H,38,44)(H4,36,37,39)/t27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Chemistry GmbH					Assay Description The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...				J Med Chem 49: 4116-26 (2006) Article DOI: 10.1021/jm051272l BindingDB Entry DOI: 10.7270/Q21C1V64
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM23887 (3-amidinophenylalanine deriv., 31 | 4-({4-[(2S)-3-...) Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)C(=O)C1CCN(CC1)C(N)=N |r| Show InChI InChI=1S/C36H54N8O4S/c1-22(2)28-20-29(23(3)4)32(30(21-28)24(5)6)49(47,48)41-31(19-25-8-7-9-27(18-25)33(37)38)35(46)43-16-14-42(15-17-43)34(45)26-10-12-44(13-11-26)36(39)40/h7-9,18,20-24,26,31,41H,10-17,19H2,1-6H3,(H3,37,38)(H3,39,40)/t31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	14	-44.8	n/a	n/a	n/a	n/a	n/a	8.0	25
Curacyte Chemistry GmbH					Assay Description The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...				J Med Chem 49: 4116-26 (2006) Article DOI: 10.1021/jm051272l BindingDB Entry DOI: 10.7270/Q21C1V64
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Bos taurus (Bovine))	BDBM50072846 (3-[3-(4-Methyl-piperidin-1-yl)-2-(naphthalene-1-su...) Show SMILES CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C26H30N4O3S/c1-18-12-14-30(15-13-18)26(31)23(17-19-6-4-9-21(16-19)25(27)28)29-34(32,33)24-11-5-8-20-7-2-3-10-22(20)24/h2-11,16,18,23,29H,12-15,17H2,1H3,(H3,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin expressed as dissociation constant				J Med Chem 41: 5445-56 (1999) Article DOI: 10.1021/jm981068g BindingDB Entry DOI: 10.7270/Q2KK99ZF
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50072854 (1-[3-(3-Carbamimidoyl-phenyl)-2-(naphthalene-2-sul...) Show SMILES COC(=O)C1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C27H30N4O5S/c1-36-27(33)20-11-13-31(14-12-20)26(32)24(16-18-5-4-8-22(15-18)25(28)29)30-37(34,35)23-10-9-19-6-2-3-7-21(19)17-23/h2-10,15,17,20,24,30H,11-14,16H2,1H3,(H3,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin expressed as dissociation constant				J Med Chem 41: 5445-56 (1999) Article DOI: 10.1021/jm981068g BindingDB Entry DOI: 10.7270/Q2KK99ZF
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM23895 (3-amidinophenylalanine deriv., 39 | N-(2-aminoethy...) Show SMILES NCCNC(=O)C1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1 |r| Show InChI InChI=1S/C32H34N6O6S/c33-12-13-36-31(41)20-10-14-38(15-11-20)32(42)27(17-19-4-3-5-21(16-19)30(34)35)37-45(43,44)22-8-9-25-26(18-22)29(40)24-7-2-1-6-23(24)28(25)39/h1-9,16,18,20,27,37H,10-15,17,33H2,(H3,34,35)(H,36,41)/t27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Chemistry GmbH					Assay Description The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...				J Med Chem 49: 4116-26 (2006) Article DOI: 10.1021/jm051272l BindingDB Entry DOI: 10.7270/Q21C1V64
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50072847 (3-[2-(9,10-Dioxo-9,10-dihydro-anthracene-2-sulfony...) Show SMILES CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1 Show InChI InChI=1S/C30H30N4O5S/c1-18-11-13-34(14-12-18)30(37)26(16-19-5-4-6-20(15-19)29(31)32)33-40(38,39)21-9-10-24-25(17-21)28(36)23-8-3-2-7-22(23)27(24)35/h2-10,15,17-18,26,33H,11-14,16H2,1H3,(H3,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin expressed as dissociation constant				J Med Chem 41: 5445-56 (1999) Article DOI: 10.1021/jm981068g BindingDB Entry DOI: 10.7270/Q2KK99ZF
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM23900 (3-amidinophenylalanine deriv., 44 | 4-({1-[(2S)-3-...) Show SMILES NC(=N)N1CCN(CC1)C(=O)C1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc(cc1)C1CCCCC1 |r| Show InChI InChI=1S/C33H46N8O4S/c34-30(35)27-8-4-5-23(21-27)22-29(38-46(44,45)28-11-9-25(10-12-28)24-6-2-1-3-7-24)32(43)39-15-13-26(14-16-39)31(42)40-17-19-41(20-18-40)33(36)37/h4-5,8-12,21,24,26,29,38H,1-3,6-7,13-20,22H2,(H3,34,35)(H3,36,37)/t29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Chemistry GmbH					Assay Description The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...				J Med Chem 49: 4116-26 (2006) Article DOI: 10.1021/jm051272l BindingDB Entry DOI: 10.7270/Q21C1V64
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50072856 (3-[3-(4-Methyl-piperidin-1-yl)-3-oxo-2-(toluene-4-...) Show SMILES CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C23H30N4O3S/c1-16-6-8-20(9-7-16)31(29,30)26-21(23(28)27-12-10-17(2)11-13-27)15-18-4-3-5-19(14-18)22(24)25/h3-9,14,17,21,26H,10-13,15H2,1-2H3,(H3,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin expressed as dissociation constant				J Med Chem 41: 5445-56 (1999) Article DOI: 10.1021/jm981068g BindingDB Entry DOI: 10.7270/Q2KK99ZF
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50060047 (3-[2-(Naphthalene-2-sulfonylamino)-3-oxo-3-(4-phen...) Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)c2ccccc2)c1 Show InChI InChI=1S/C30H31N5O3S/c31-29(32)25-10-6-7-22(19-25)20-28(30(36)35-17-15-34(16-18-35)26-11-2-1-3-12-26)33-39(37,38)27-14-13-23-8-4-5-9-24(23)21-27/h1-14,19,21,28,33H,15-18,20H2,(H3,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie Curated by ChEMBL					Assay Description Inhibitory activity against bovine trypsin expressed as dissociation constant				J Med Chem 41: 5445-56 (1999) Article DOI: 10.1021/jm981068g BindingDB Entry DOI: 10.7270/Q2KK99ZF
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM23914 (3-amidinophenylalanine deriv., 57 | 3-amino-N-(4-{...) Show SMILES NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc(NC(=O)CCN)cc1 |r| Show InChI InChI=1S/C26H37N7O4S/c27-12-8-18-10-14-33(15-11-18)26(35)23(17-19-2-1-3-20(16-19)25(29)30)32-38(36,37)22-6-4-21(5-7-22)31-24(34)9-13-28/h1-7,16,18,23,32H,8-15,17,27-28H2,(H3,29,30)(H,31,34)/t23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Chemistry GmbH					Assay Description The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...				J Med Chem 49: 4116-26 (2006) Article DOI: 10.1021/jm051272l BindingDB Entry DOI: 10.7270/Q21C1V64
					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM50072843 (2,7-Bis-(4-diaminomethyl-benzylidene)-cycloheptano...) Show SMILES NC(N)c1ccc(\C=C2/CCCC\C(=C/c3ccc(cc3)C(N)N)C2=O)cc1 Show InChI InChI=1S/C23H28N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-14,22-23H,1-4,24-27H2/b19-13+,20-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie Curated by ChEMBL					Assay Description Inhibitory activity against human tissue-type plasminogen activator expressed as dissociation constant				J Med Chem 41: 5445-56 (1999) Article DOI: 10.1021/jm981068g BindingDB Entry DOI: 10.7270/Q2KK99ZF
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM50072854 (1-[3-(3-Carbamimidoyl-phenyl)-2-(naphthalene-2-sul...) Show SMILES COC(=O)C1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C27H30N4O5S/c1-36-27(33)20-11-13-31(14-12-20)26(32)24(16-18-5-4-8-22(15-18)25(28)29)30-37(34,35)23-10-9-19-6-2-3-7-21(19)17-23/h2-10,15,17,20,24,30H,11-14,16H2,1H3,(H3,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie Curated by ChEMBL					Assay Description Inhibitory activity against bovine trypsin expressed as dissociation constant				J Med Chem 41: 5445-56 (1999) Article DOI: 10.1021/jm981068g BindingDB Entry DOI: 10.7270/Q2KK99ZF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine protease 1 (Bos taurus (bovine))	BDBM50072853 (4-[3-(3-Diaminomethyl-phenyl)-2-(2,4,6-triisopropy...) Show SMILES CCOC(=O)N1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C Show InChI InChI=1S/C32H49N5O5S/c1-8-42-32(39)37-14-12-36(13-15-37)31(38)28(17-23-10-9-11-24(16-23)30(33)34)35-43(40,41)29-26(21(4)5)18-25(20(2)3)19-27(29)22(6)7/h9-11,16,18-22,28,30,35H,8,12-15,17,33-34H2,1-7H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie Curated by ChEMBL					Assay Description Inhibitory activity against bovine trypsin expressed as dissociation constant				J Med Chem 41: 5445-56 (1999) Article DOI: 10.1021/jm981068g BindingDB Entry DOI: 10.7270/Q2KK99ZF
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM23910 (3-[(2S)-3-[4-(2-carbamimidamidoethyl)piperidin-1-y...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1ccc(-[#8]-c2ccccc2)cc1 |r| Show InChI InChI=1S/C30H37N7O4S/c31-28(32)23-6-4-5-22(19-23)20-27(29(38)37-17-14-21(15-18-37)13-16-35-30(33)34)36-42(39,40)26-11-9-25(10-12-26)41-24-7-2-1-3-8-24/h1-12,19,21,27,36H,13-18,20H2,(H3,31,32)(H4,33,34,35)/t27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Chemistry GmbH					Assay Description The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...				J Med Chem 49: 4116-26 (2006) Article DOI: 10.1021/jm051272l BindingDB Entry DOI: 10.7270/Q21C1V64
					More data for this Ligand-Target Pair				3D Structure (docked)
Coagulation factor X (Bos taurus)	BDBM50041224 ((R)-3-(7-Carbamimidoyl-naphthalen-2-yl)-2-{4-[(S)-...) Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)[C@@H](Cc1ccc2ccc(cc2c1)C(N)=N)C(O)=O Show InChI InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/t23-,24+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie Curated by ChEMBL					Assay Description Binding affinity of the compound towards Coagulation factor X				J Med Chem 41: 4240-50 (1998) Article DOI: 10.1021/jm980227t BindingDB Entry DOI: 10.7270/Q27D2T86
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM23907 (3-[(2S)-3-[4-(3-carbamimidamidopropyl)piperidin-1-...) Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C29H37N7O3S/c30-27(31)24-9-3-5-21(17-24)18-26(28(37)36-15-12-20(13-16-36)6-4-14-34-29(32)33)35-40(38,39)25-11-10-22-7-1-2-8-23(22)19-25/h1-3,5,7-11,17,19-20,26,35H,4,6,12-16,18H2,(H3,30,31)(H4,32,33,34)/t26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Chemistry GmbH					Assay Description The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...				J Med Chem 49: 4116-26 (2006) Article DOI: 10.1021/jm051272l BindingDB Entry DOI: 10.7270/Q21C1V64
					More data for this Ligand-Target Pair				3D Structure (docked)
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM23877 (3-[(2S)-2-(anthracene-2-sulfonamido)-3-[4-(3-carba...) Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1ccc2cc3ccccc3cc2c1 |r| Show InChI InChI=1S/C32H36N8O4S/c33-30(34)25-7-3-4-21(16-25)17-28(31(42)40-14-12-39(13-15-40)29(41)10-11-37-32(35)36)38-45(43,44)27-9-8-24-18-22-5-1-2-6-23(22)19-26(24)20-27/h1-9,16,18-20,28,38H,10-15,17H2,(H3,33,34)(H4,35,36,37)/t28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	44	-42.0	n/a	n/a	n/a	n/a	n/a	8.0	25
Curacyte Chemistry GmbH					Assay Description The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...				J Med Chem 49: 4116-26 (2006) Article DOI: 10.1021/jm051272l BindingDB Entry DOI: 10.7270/Q21C1V64
					More data for this Ligand-Target Pair				3D Structure (docked)
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM23909 (3-amidinophenylalanine deriv., 52 | 4-{1-[(2S)-3-(...) Show SMILES NC(=N)N1CCC(CC1)C1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C31H39N7O3S/c32-29(33)26-7-3-4-21(18-26)19-28(36-42(40,41)27-9-8-22-5-1-2-6-25(22)20-27)30(39)37-14-10-23(11-15-37)24-12-16-38(17-13-24)31(34)35/h1-9,18,20,23-24,28,36H,10-17,19H2,(H3,32,33)(H3,34,35)/t28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Chemistry GmbH					Assay Description The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...				J Med Chem 49: 4116-26 (2006) Article DOI: 10.1021/jm051272l BindingDB Entry DOI: 10.7270/Q21C1V64
					More data for this Ligand-Target Pair				3D Structure (docked)
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM23902 (3-[(2S)-3-[4-(2-carbamimidamidoethyl)piperidin-1-y...) Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C28H35N7O3S/c29-26(30)23-7-3-4-20(16-23)17-25(27(36)35-14-11-19(12-15-35)10-13-33-28(31)32)34-39(37,38)24-9-8-21-5-1-2-6-22(21)18-24/h1-9,16,18-19,25,34H,10-15,17H2,(H3,29,30)(H4,31,32,33)/t25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Chemistry GmbH					Assay Description The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...				J Med Chem 49: 4116-26 (2006) Article DOI: 10.1021/jm051272l BindingDB Entry DOI: 10.7270/Q21C1V64
					More data for this Ligand-Target Pair				3D Structure (crystal)
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM23890 (3-amidinophenylalanine deriv., 34 | 4-({4-[(2S)-3-...) Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCCN(CC1)C(=O)C1CCN(CC1)C(N)=N |r| Show InChI InChI=1S/C37H56N8O4S/c1-23(2)29-21-30(24(3)4)33(31(22-29)25(5)6)50(48,49)42-32(20-26-9-7-10-28(19-26)34(38)39)36(47)44-14-8-13-43(17-18-44)35(46)27-11-15-45(16-12-27)37(40)41/h7,9-10,19,21-25,27,32,42H,8,11-18,20H2,1-6H3,(H3,38,39)(H3,40,41)/t32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	50	-41.7	n/a	n/a	n/a	n/a	n/a	8.0	25
Curacyte Chemistry GmbH					Assay Description The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...				J Med Chem 49: 4116-26 (2006) Article DOI: 10.1021/jm051272l BindingDB Entry DOI: 10.7270/Q21C1V64
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM23904 (3-[(2S)-3-[4-(2-carbamimidamidoethyl)piperidin-1-y...) Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1ccc(cc1)-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 |r| Show InChI InChI=1S/C30H43N7O3S/c31-28(32)25-8-4-5-22(19-25)20-27(29(38)37-17-14-21(15-18-37)13-16-35-30(33)34)36-41(39,40)26-11-9-24(10-12-26)23-6-2-1-3-7-23/h4-5,8-12,19,21,23,27,36H,1-3,6-7,13-18,20H2,(H3,31,32)(H4,33,34,35)/t27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Chemistry GmbH					Assay Description The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...				J Med Chem 49: 4116-26 (2006) Article DOI: 10.1021/jm051272l BindingDB Entry DOI: 10.7270/Q21C1V64
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM23912 (3-[(2S)-3-[4-(2-carbamimidamidoethyl)piperidin-1-y...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1ccc(-[#6]-c2ccncc2)cc1 |r| Show InChI InChI=1S/C30H38N8O3S/c31-28(32)25-3-1-2-24(19-25)20-27(29(39)38-16-11-21(12-17-38)10-15-36-30(33)34)37-42(40,41)26-6-4-22(5-7-26)18-23-8-13-35-14-9-23/h1-9,13-14,19,21,27,37H,10-12,15-18,20H2,(H3,31,32)(H4,33,34,36)/t27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Chemistry GmbH					Assay Description The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...				J Med Chem 49: 4116-26 (2006) Article DOI: 10.1021/jm051272l BindingDB Entry DOI: 10.7270/Q21C1V64
					More data for this Ligand-Target Pair				3D Structure (docked)
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM23876 (3-[(2S)-3-[4-(3-carbamimidamidopropanoyl)piperazin...) Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1ccc2-[#6](=O)-c3ccccc3-[#6](=O)-c2c1 |r| Show InChI InChI=1S/C32H34N8O6S/c33-30(34)20-5-3-4-19(16-20)17-26(31(44)40-14-12-39(13-15-40)27(41)10-11-37-32(35)36)38-47(45,46)21-8-9-24-25(18-21)29(43)23-7-2-1-6-22(23)28(24)42/h1-9,16,18,26,38H,10-15,17H2,(H3,33,34)(H4,35,36,37)/t26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	53	-41.5	n/a	n/a	n/a	n/a	n/a	8.0	25
Curacyte Chemistry GmbH					Assay Description The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...				J Med Chem 49: 4116-26 (2006) Article DOI: 10.1021/jm051272l BindingDB Entry DOI: 10.7270/Q21C1V64
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM23892 (3-[(2S)-2-[(9,10-dioxo-9,10-dihydroanthracene-2-)s...) Show SMILES CCC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1 |r| Show InChI InChI=1S/C31H31N5O6S/c1-2-27(37)35-12-14-36(15-13-35)31(40)26(17-19-6-5-7-20(16-19)30(32)33)34-43(41,42)21-10-11-24-25(18-21)29(39)23-9-4-3-8-22(23)28(24)38/h3-11,16,18,26,34H,2,12-15,17H2,1H3,(H3,32,33)/t26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Chemistry GmbH					Assay Description The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...				J Med Chem 49: 4116-26 (2006) Article DOI: 10.1021/jm051272l BindingDB Entry DOI: 10.7270/Q21C1V64
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM23867 (3-[(2S)-3-[4-(3-carbamimidamidopropanoyl)piperazin...) Show SMILES [#6]-[#6](-[#6])-c1cc(-[#6](-[#6])-[#6])c(c(c1)-[#6](-[#6])-[#6])S(=O)(=O)[#7]-[#6@@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r| Show InChI InChI=1S/C33H50N8O4S/c1-20(2)25-18-26(21(3)4)30(27(19-25)22(5)6)46(44,45)39-28(17-23-8-7-9-24(16-23)31(34)35)32(43)41-14-12-40(13-15-41)29(42)10-11-38-33(36)37/h7-9,16,18-22,28,39H,10-15,17H2,1-6H3,(H3,34,35)(H4,36,37,38)/t28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	57	-41.3	n/a	n/a	n/a	n/a	n/a	8.0	25
Curacyte Chemistry GmbH					Assay Description The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...				J Med Chem 49: 4116-26 (2006) Article DOI: 10.1021/jm051272l BindingDB Entry DOI: 10.7270/Q21C1V64
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50072859 (3-[3-(4-Methyl-piperidin-1-yl)-3-oxo-2-(2,4,6-trim...) Show SMILES CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(C)cc(C)cc1C Show InChI InChI=1S/C25H34N4O3S/c1-16-8-10-29(11-9-16)25(30)22(15-20-6-5-7-21(14-20)24(26)27)28-33(31,32)23-18(3)12-17(2)13-19(23)4/h5-7,12-14,16,22,28H,8-11,15H2,1-4H3,(H3,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin expressed as dissociation constant				J Med Chem 41: 5445-56 (1999) Article DOI: 10.1021/jm981068g BindingDB Entry DOI: 10.7270/Q2KK99ZF
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM23888 (3-amidinophenylalanine deriv., 32 | 4-({4-[(2S)-3-...) Show SMILES NC(=N)N1CCC(CC1)C(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C33H40N8O4S/c34-30(35)27-8-4-5-23(21-27)22-29(38-46(44,45)28-11-9-25(10-12-28)24-6-2-1-3-7-24)32(43)40-19-17-39(18-20-40)31(42)26-13-15-41(16-14-26)33(36)37/h1-12,21,26,29,38H,13-20,22H2,(H3,34,35)(H3,36,37)/t29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	61	-41.2	n/a	n/a	n/a	n/a	n/a	8.0	25
Curacyte Chemistry GmbH					Assay Description The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...				J Med Chem 49: 4116-26 (2006) Article DOI: 10.1021/jm051272l BindingDB Entry DOI: 10.7270/Q21C1V64
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM23870 (3-[(2S)-3-[4-(4-carbamimidamidobutanoyl)piperazin-...) Show SMILES [#6]-[#6](-[#6])-c1cc(-[#6](-[#6])-[#6])c(c(c1)-[#6](-[#6])-[#6])S(=O)(=O)[#7]-[#6@@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r| Show InChI InChI=1S/C34H52N8O4S/c1-21(2)26-19-27(22(3)4)31(28(20-26)23(5)6)47(45,46)40-29(18-24-9-7-10-25(17-24)32(35)36)33(44)42-15-13-41(14-16-42)30(43)11-8-12-39-34(37)38/h7,9-10,17,19-23,29,40H,8,11-16,18H2,1-6H3,(H3,35,36)(H4,37,38,39)/t29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	61	-41.2	n/a	n/a	n/a	n/a	n/a	8.0	25
Curacyte Chemistry GmbH					Assay Description The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...				J Med Chem 49: 4116-26 (2006) Article DOI: 10.1021/jm051272l BindingDB Entry DOI: 10.7270/Q21C1V64
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM23874 (3-[(2S)-3-[4-(3-carbamimidamidopropanoyl)-1,4-diaz...) Show SMILES [#6]-[#6](-[#6])-c1cc(-[#6](-[#6])-[#6])c(c(c1)-[#6](-[#6])-[#6])S(=O)(=O)[#7]-[#6@@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]\[#7]=[#6](\[#7])-[#7] |r| Show InChI InChI=1S/C34H52N8O4S/c1-21(2)26-19-27(22(3)4)31(28(20-26)23(5)6)47(45,46)40-29(18-24-9-7-10-25(17-24)32(35)36)33(44)42-14-8-13-41(15-16-42)30(43)11-12-39-34(37)38/h7,9-10,17,19-23,29,40H,8,11-16,18H2,1-6H3,(H3,35,36)(H4,37,38,39)/t29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	65	-41.0	n/a	n/a	n/a	n/a	n/a	8.0	25
Curacyte Chemistry GmbH					Assay Description The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...				J Med Chem 49: 4116-26 (2006) Article DOI: 10.1021/jm051272l BindingDB Entry DOI: 10.7270/Q21C1V64
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50060049 (3-[2-(Naphthalene-2-sulfonylamino)-3-oxo-3-piperid...) Show SMILES NC(=N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)c1 Show InChI InChI=1S/C25H28N4O3S/c26-24(27)21-10-6-7-18(15-21)16-23(25(30)29-13-4-1-5-14-29)28-33(31,32)22-12-11-19-8-2-3-9-20(19)17-22/h2-3,6-12,15,17,23,28H,1,4-5,13-14,16H2,(H3,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin expressed as dissociation constant				J Med Chem 41: 5445-56 (1999) Article DOI: 10.1021/jm981068g BindingDB Entry DOI: 10.7270/Q2KK99ZF
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM23903 (3-[(2S)-3-[4-(2-carbamimidamidoethyl)piperidin-1-y...) Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1cccc2ccccc12 |r| Show InChI InChI=1S/C28H35N7O3S/c29-26(30)22-8-3-5-20(17-22)18-24(27(36)35-15-12-19(13-16-35)11-14-33-28(31)32)34-39(37,38)25-10-4-7-21-6-1-2-9-23(21)25/h1-10,17,19,24,34H,11-16,18H2,(H3,29,30)(H4,31,32,33)/t24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Chemistry GmbH					Assay Description The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...				J Med Chem 49: 4116-26 (2006) Article DOI: 10.1021/jm051272l BindingDB Entry DOI: 10.7270/Q21C1V64
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine protease 1 (Bos taurus (bovine))	BDBM50072847 (3-[2-(9,10-Dioxo-9,10-dihydro-anthracene-2-sulfony...) Show SMILES CC1CCN(CC1)C(=O)C(Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1 Show InChI InChI=1S/C30H30N4O5S/c1-18-11-13-34(14-12-18)30(37)26(16-19-5-4-6-20(15-19)29(31)32)33-40(38,39)21-9-10-24-25(17-21)28(36)23-8-3-2-7-22(23)27(24)35/h2-10,15,17-18,26,33H,11-14,16H2,1H3,(H3,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie Curated by ChEMBL					Assay Description Inhibitory activity against bovine trypsin expressed as dissociation constant				J Med Chem 41: 5445-56 (1999) Article DOI: 10.1021/jm981068g BindingDB Entry DOI: 10.7270/Q2KK99ZF
					More data for this Ligand-Target Pair
Prothrombin (Bos taurus (Bovine))	BDBM50072857 (3-[3-(4-Methyl-piperidin-1-yl)-3-oxo-2-(2,4,6-trii...) Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)NC(Cc1cccc(c1)C(N)=N)C(=O)N1CCC(C)CC1 Show InChI InChI=1S/C31H46N4O3S/c1-19(2)25-17-26(20(3)4)29(27(18-25)21(5)6)39(37,38)34-28(31(36)35-13-11-22(7)12-14-35)16-23-9-8-10-24(15-23)30(32)33/h8-10,15,17-22,28,34H,11-14,16H2,1-7H3,(H3,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut für Biochemie Curated by ChEMBL					Assay Description Inhibitory activity against bovine thrombin expressed as dissociation constant				J Med Chem 41: 5445-56 (1999) Article DOI: 10.1021/jm981068g BindingDB Entry DOI: 10.7270/Q2KK99ZF
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM23919 (2-amino-N-(3-{[(2S)-1-[4-(2-aminoethyl)piperidin-1...) Show SMILES NCCC1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1cccc(NC(=O)CN)c1 |r| Show InChI InChI=1S/C25H35N7O4S/c26-10-7-17-8-11-32(12-9-17)25(34)22(14-18-3-1-4-19(13-18)24(28)29)31-37(35,36)21-6-2-5-20(15-21)30-23(33)16-27/h1-6,13,15,17,22,31H,7-12,14,16,26-27H2,(H3,28,29)(H,30,33)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Chemistry GmbH					Assay Description The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...				J Med Chem 49: 4116-26 (2006) Article DOI: 10.1021/jm051272l BindingDB Entry DOI: 10.7270/Q21C1V64
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM23898 (3-amidinophenylalanine deriv., 42 | 4-({1-[(2S)-3-...) Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCC(CC1)C(=O)N1CCN(CC1)C(N)=N |r| Show InChI InChI=1S/C36H54N8O4S/c1-22(2)28-20-29(23(3)4)32(30(21-28)24(5)6)49(47,48)41-31(19-25-8-7-9-27(18-25)33(37)38)35(46)42-12-10-26(11-13-42)34(45)43-14-16-44(17-15-43)36(39)40/h7-9,18,20-24,26,31,41H,10-17,19H2,1-6H3,(H3,37,38)(H3,39,40)/t31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Chemistry GmbH					Assay Description The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...				J Med Chem 49: 4116-26 (2006) Article DOI: 10.1021/jm051272l BindingDB Entry DOI: 10.7270/Q21C1V64
					More data for this Ligand-Target Pair
Suppressor of tumorigenicity 14 protein (Homo sapiens (Human))	BDBM23904 (3-[(2S)-3-[4-(2-carbamimidamidoethyl)piperidin-1-y...) Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-c1cccc(c1)-[#6](-[#7])=[#7])-[#7]S(=O)(=O)c1ccc(cc1)-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 |r| Show InChI InChI=1S/C30H43N7O3S/c31-28(32)25-8-4-5-22(19-25)20-27(29(38)37-17-14-21(15-18-37)13-16-35-30(33)34)36-41(39,40)26-11-9-24(10-12-26)23-6-2-1-3-7-23/h4-5,8-12,19,21,23,27,36H,1-3,6-7,13-18,20H2,(H3,31,32)(H4,33,34,35)/t27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Curacyte Chemistry GmbH					Assay Description The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used. Af...				J Med Chem 49: 4116-26 (2006) Article DOI: 10.1021/jm051272l BindingDB Entry DOI: 10.7270/Q21C1V64
					More data for this Ligand-Target Pair				3D Structure (docked)

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