Compile Data Set for Download or QSAR
Found 141 Enz. Inhib. hit(s) with all data for entry = 2130
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17259(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CN(CCN1CCCC1)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C26H27Cl3N4O2S/c1-32(12-13-33-10-2-3-11-33)15-17-16-36-24(23(17)29)26(35)31-22-9-6-19(28)14-21(22)25(34)30-20-7-4-18(27)5-8-20/h4-9,14,16H,2-3,10-13,15H2,1H3,(H,30,34)(H,31,35)
Affinity DataKi:  0.300nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17226(3-chloro-N-{2-[(4-chlorophenyl)carbamoyl]-4-methyl...)
Show SMILES Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(c1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C23H16Cl2N2O2S/c1-13-6-11-18(17(12-13)22(28)26-15-9-7-14(24)8-10-15)27-23(29)21-20(25)16-4-2-3-5-19(16)30-21/h2-12H,1H3,(H,26,28)(H,27,29)
Affinity DataKi:  0.330nM ΔG°:  -53.6kJ/molepH: 7.5 T: 2°CAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17261(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CN(Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl)C1CCN(C)CC1
Show InChI InChI=1S/C26H27Cl3N4O2S/c1-32-11-9-20(10-12-32)33(2)14-16-15-36-24(23(16)29)26(35)31-22-8-5-18(28)13-21(22)25(34)30-19-6-3-17(27)4-7-19/h3-8,13,15,20H,9-12,14H2,1-2H3,(H,30,34)(H,31,35)
Affinity DataKi:  0.380nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17269(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CS(=O)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C20H15Cl3N2O3S2/c1-30(28)10-11-9-29-18(17(11)23)20(27)25-16-7-4-13(22)8-15(16)19(26)24-14-5-2-12(21)3-6-14/h2-9H,10H2,1H3,(H,24,26)(H,25,27)
Affinity DataKi:  0.400nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17256(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CN(C)CCN(C)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C24H25Cl3N4O2S/c1-30(2)10-11-31(3)13-15-14-34-22(21(15)27)24(33)29-20-9-6-17(26)12-19(20)23(32)28-18-7-4-16(25)5-8-18/h4-9,12,14H,10-11,13H2,1-3H3,(H,28,32)(H,29,33)
Affinity DataKi:  0.450nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17257(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CCN(CC)CCN(C)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C26H29Cl3N4O2S/c1-4-33(5-2)13-12-32(3)15-17-16-36-24(23(17)29)26(35)31-22-11-8-19(28)14-21(22)25(34)30-20-9-6-18(27)7-10-20/h6-11,14,16H,4-5,12-13,15H2,1-3H3,(H,30,34)(H,31,35)
Affinity DataKi:  0.520nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17258(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CN(C)CCCN(C)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C25H27Cl3N4O2S/c1-31(2)11-4-12-32(3)14-16-15-35-23(22(16)28)25(34)30-21-10-7-18(27)13-20(21)24(33)29-19-8-5-17(26)6-9-19/h5-10,13,15H,4,11-12,14H2,1-3H3,(H,29,33)(H,30,34)
Affinity DataKi:  0.600nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17227(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES Clc1c(sc2ccccc12)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C22H13Cl3N2O2S/c23-12-5-8-14(9-6-12)26-21(28)16-11-13(24)7-10-17(16)27-22(29)20-19(25)15-3-1-2-4-18(15)30-20/h1-11H,(H,26,28)(H,27,29)
Affinity DataKi:  0.600nM ΔG°:  -52.1kJ/molepH: 7.5 T: 2°CAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17268(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CSCc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C20H15Cl3N2O2S2/c1-28-9-11-10-29-18(17(11)23)20(27)25-16-7-4-13(22)8-15(16)19(26)24-14-5-2-12(21)3-6-14/h2-8,10H,9H2,1H3,(H,24,26)(H,25,27)
Affinity DataKi:  0.800nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17252(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CN(CCO)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C22H20Cl3N3O3S/c1-28(8-9-29)11-13-12-32-20(19(13)25)22(31)27-18-7-4-15(24)10-17(18)21(30)26-16-5-2-14(23)3-6-16/h2-7,10,12,29H,8-9,11H2,1H3,(H,26,30)(H,27,31)
Affinity DataKi:  0.800nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17228(N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-3...)
Show SMILES Cc1c(sc2ccccc12)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C23H16Cl2N2O2S/c1-13-17-4-2-3-5-20(17)30-21(13)23(29)27-19-11-8-15(25)12-18(19)22(28)26-16-9-6-14(24)7-10-16/h2-12H,1H3,(H,26,28)(H,27,29)
Affinity DataKi:  0.820nM ΔG°:  -51.3kJ/molepH: 7.5 T: 2°CAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17231(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES Cc1ccc2c(Cl)c(sc2c1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C23H15Cl3N2O2S/c1-12-2-8-16-19(10-12)31-21(20(16)26)23(30)28-18-9-5-14(25)11-17(18)22(29)27-15-6-3-13(24)4-7-15/h2-11H,1H3,(H,27,29)(H,28,30)
Affinity DataKi:  0.950nM ΔG°:  -51.0kJ/molepH: 7.5 T: 2°CAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17085(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CN1CCN(Cc2csc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c2Cl)CC1
Show InChI InChI=1S/C24H23Cl3N4O2S/c1-30-8-10-31(11-9-30)13-15-14-34-22(21(15)27)24(33)29-20-7-4-17(26)12-19(20)23(32)28-18-5-2-16(25)3-6-18/h2-7,12,14H,8-11,13H2,1H3,(H,28,32)(H,29,33)
Affinity DataKi:  1nM ΔG°:  -50.9kJ/molepH: 7.5 T: 2°CAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17253(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CN(CC(O)CO)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C23H22Cl3N3O4S/c1-29(10-17(31)11-30)9-13-12-34-21(20(13)26)23(33)28-19-7-4-15(25)8-18(19)22(32)27-16-5-2-14(24)3-6-16/h2-8,12,17,30-31H,9-11H2,1H3,(H,27,32)(H,28,33)
Affinity DataKi:  1.40nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17264(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES Clc1c(Cn2ccnn2)csc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C21H14Cl3N5O2S/c22-13-1-4-15(5-2-13)26-20(30)16-9-14(23)3-6-17(16)27-21(31)19-18(24)12(11-32-19)10-29-8-7-25-28-29/h1-9,11H,10H2,(H,26,30)(H,27,31)
Affinity DataKi:  1.40nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17255(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CN(CCOCCO)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C24H24Cl3N3O4S/c1-30(8-10-34-11-9-31)13-15-14-35-22(21(15)27)24(33)29-20-7-4-17(26)12-19(20)23(32)28-18-5-2-16(25)3-6-18/h2-7,12,14,31H,8-11,13H2,1H3,(H,28,32)(H,29,33)
Affinity DataKi:  1.5nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17263(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES Clc1c(Cn2cncn2)csc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C21H14Cl3N5O2S/c22-13-1-4-15(5-2-13)27-20(30)16-7-14(23)3-6-17(16)28-21(31)19-18(24)12(9-32-19)8-29-11-25-10-26-29/h1-7,9-11H,8H2,(H,27,30)(H,28,31)
Affinity DataKi:  1.60nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17248(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CCN1CCN(Cc2csc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c2Cl)CC1
Show InChI InChI=1S/C25H25Cl3N4O2S/c1-2-31-9-11-32(12-10-31)14-16-15-35-23(22(16)28)25(34)30-21-8-5-18(27)13-20(21)24(33)29-19-6-3-17(26)4-7-19/h3-8,13,15H,2,9-12,14H2,1H3,(H,29,33)(H,30,34)
Affinity DataKi:  1.60nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17266(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES Clc1c(Cn2cnnn2)csc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C20H13Cl3N6O2S/c21-12-1-4-14(5-2-12)25-19(30)15-7-13(22)3-6-16(15)26-20(31)18-17(23)11(9-32-18)8-29-10-24-27-28-29/h1-7,9-10H,8H2,(H,25,30)(H,26,31)
Affinity DataKi:  1.70nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17242(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES Clc1c(Cn2ccnc2)csc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C22H15Cl3N4O2S/c23-14-1-4-16(5-2-14)27-21(30)17-9-15(24)3-6-18(17)28-22(31)20-19(25)13(11-32-20)10-29-8-7-26-12-29/h1-9,11-12H,10H2,(H,27,30)(H,28,31)
Affinity DataKi:  1.90nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17267(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES Clc1c(Cn2ncnn2)csc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C20H13Cl3N6O2S/c21-12-1-4-14(5-2-12)26-19(30)15-7-13(22)3-6-16(15)27-20(31)18-17(23)11(9-32-18)8-29-25-10-24-28-29/h1-7,9-10H,8H2,(H,26,30)(H,27,31)
Affinity DataKi:  2nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17270(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CS(=O)(=O)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C20H15Cl3N2O4S2/c1-31(28,29)10-11-9-30-18(17(11)23)20(27)25-16-7-4-13(22)8-15(16)19(26)24-14-5-2-12(21)3-6-14/h2-9H,10H2,1H3,(H,24,26)(H,25,27)
Affinity DataKi:  2.10nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17262(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES Clc1c(Cn2cccn2)csc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C22H15Cl3N4O2S/c23-14-2-5-16(6-3-14)27-21(30)17-10-15(24)4-7-18(17)28-22(31)20-19(25)13(12-32-20)11-29-9-1-8-26-29/h1-10,12H,11H2,(H,27,30)(H,28,31)
Affinity DataKi:  2.10nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17247(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CCCN1Cc2sc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c(Cl)c2C1
Show InChI InChI=1S/C23H20Cl3N3O2S/c1-2-9-29-11-17-19(12-29)32-21(20(17)26)23(31)28-18-8-5-14(25)10-16(18)22(30)27-15-6-3-13(24)4-7-15/h3-8,10H,2,9,11-12H2,1H3,(H,27,30)(H,28,31)
Affinity DataKi:  2.20nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17271(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CN(C)CCSCc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C23H22Cl3N3O2S2/c1-29(2)9-10-32-12-14-13-33-21(20(14)26)23(31)28-19-8-5-16(25)11-18(19)22(30)27-17-6-3-15(24)4-7-17/h3-8,11,13H,9-10,12H2,1-2H3,(H,27,30)(H,28,31)
Affinity DataKi:  2.70nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17254(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES OCCOCCNCc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C23H22Cl3N3O4S/c24-15-1-4-17(5-2-15)28-22(31)18-11-16(25)3-6-19(18)29-23(32)21-20(26)14(13-34-21)12-27-7-9-33-10-8-30/h1-6,11,13,27,30H,7-10,12H2,(H,28,31)(H,29,32)
Affinity DataKi:  3.40nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17265(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES Clc1c(Cn2nccn2)csc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C21H14Cl3N5O2S/c22-13-1-4-15(5-2-13)27-20(30)16-9-14(23)3-6-17(16)28-21(31)19-18(24)12(11-32-19)10-29-25-7-8-26-29/h1-9,11H,10H2,(H,27,30)(H,28,31)
Affinity DataKi:  3.5nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17260(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES Clc1c(CNCCCn2ccnc2)csc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C25H22Cl3N5O2S/c26-17-2-5-19(6-3-17)31-24(34)20-12-18(27)4-7-21(20)32-25(35)23-22(28)16(14-36-23)13-29-8-1-10-33-11-9-30-15-33/h2-7,9,11-12,14-15,29H,1,8,10,13H2,(H,31,34)(H,32,35)
Affinity DataKi:  4.60nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17250(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES Clc1c(CN2CCSCC2)csc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C23H20Cl3N3O2S2/c24-15-1-4-17(5-2-15)27-22(30)18-11-16(25)3-6-19(18)28-23(31)21-20(26)14(13-33-21)12-29-7-9-32-10-8-29/h1-6,11,13H,7-10,12H2,(H,27,30)(H,28,31)
Affinity DataKi:  4.80nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17251(ethyl 2-({[4-chloro-5-({4-chloro-2-[(4-chloropheny...)
Show SMILES CCOC(=O)CN(C)Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C24H22Cl3N3O4S/c1-3-34-20(31)12-30(2)11-14-13-35-22(21(14)27)24(33)29-19-9-6-16(26)10-18(19)23(32)28-17-7-4-15(25)5-8-17/h4-10,13H,3,11-12H2,1-2H3,(H,28,32)(H,29,33)
Affinity DataKi:  5.20nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17239(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CN1CCN(Cc2cc(Cl)c(s2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C24H23Cl3N4O2S/c1-30-8-10-31(11-9-30)14-18-13-20(27)22(34-18)24(33)29-21-7-4-16(26)12-19(21)23(32)28-17-5-2-15(25)3-6-17/h2-7,12-13H,8-11,14H2,1H3,(H,28,32)(H,29,33)
Affinity DataKi:  5.60nM ΔG°:  -46.6kJ/molepH: 7.5 T: 2°CAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17275(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES OCC(O)COCc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C22H19Cl3N2O5S/c23-13-1-4-15(5-2-13)26-21(30)17-7-14(24)3-6-18(17)27-22(31)20-19(25)12(11-33-20)9-32-10-16(29)8-28/h1-7,11,16,28-29H,8-10H2,(H,26,30)(H,27,31)
Affinity DataKi:  5.70nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17249(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CC(=O)N1CCN(Cc2csc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c2Cl)CC1
Show InChI InChI=1S/C25H23Cl3N4O3S/c1-15(33)32-10-8-31(9-11-32)13-16-14-36-23(22(16)28)25(35)30-21-7-4-18(27)12-20(21)24(34)29-19-5-2-17(26)3-6-19/h2-7,12,14H,8-11,13H2,1H3,(H,29,34)(H,30,35)
Affinity DataKi:  6nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17240(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES Clc1c(CN2CCOCC2)csc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C23H20Cl3N3O3S/c24-15-1-4-17(5-2-15)27-22(30)18-11-16(25)3-6-19(18)28-23(31)21-20(26)14(13-33-21)12-29-7-9-32-10-8-29/h1-6,11,13H,7-10,12H2,(H,27,30)(H,28,31)
Affinity DataKi:  6.20nM ΔG°:  -46.4kJ/molepH: 7.5 T: 2°CAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17243(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES Clc1cc(Cn2ccnc2)sc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C22H15Cl3N4O2S/c23-13-1-4-15(5-2-13)27-21(30)17-9-14(24)3-6-19(17)28-22(31)20-18(25)10-16(32-20)11-29-8-7-26-12-29/h1-10,12H,11H2,(H,27,30)(H,28,31)
Affinity DataKi:  7.20nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17246(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CCCNCc1sc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c(Cl)c1CNCCC
Show InChI InChI=1S/C26H29Cl3N4O2S/c1-3-11-30-14-20-22(15-31-12-4-2)36-24(23(20)29)26(35)33-21-10-7-17(28)13-19(21)25(34)32-18-8-5-16(27)6-9-18/h5-10,13,30-31H,3-4,11-12,14-15H2,1-2H3,(H,32,34)(H,33,35)
Affinity DataKi:  7.5nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17232(N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-3...)
Show SMILES CN(C)Cc1c(sc2ccccc12)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C25H21Cl2N3O2S/c1-30(2)14-20-18-5-3-4-6-22(18)33-23(20)25(32)29-21-12-9-16(27)13-19(21)24(31)28-17-10-7-15(26)8-11-17/h3-13H,14H2,1-2H3,(H,28,31)(H,29,32)
Affinity DataKi:  9nM ΔG°:  -45.5kJ/molepH: 7.5 T: 2°CAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17236(2-(4-{[3-chloro-2-({4-chloro-2-[(4-chlorophenyl)ca...)
Show SMILES OC(=O)CN1CCN(Cc2ccc3c(Cl)c(sc3c2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C29H25Cl3N4O4S/c30-18-2-5-20(6-3-18)33-28(39)22-14-19(31)4-8-23(22)34-29(40)27-26(32)21-7-1-17(13-24(21)41-27)15-35-9-11-36(12-10-35)16-25(37)38/h1-8,13-14H,9-12,15-16H2,(H,33,39)(H,34,40)(H,37,38)
Affinity DataKi:  9.5nM ΔG°:  -45.3kJ/molepH: 7.5 T: 2°CAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17273(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES COCCOCCOCc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C24H23Cl3N2O5S/c1-32-8-9-33-10-11-34-13-15-14-35-22(21(15)27)24(31)29-20-7-4-17(26)12-19(20)23(30)28-18-5-2-16(25)3-6-18/h2-7,12,14H,8-11,13H2,1H3,(H,28,30)(H,29,31)
Affinity DataKi:  10nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17245(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CN1CCN(Cc2sc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c(Cl)c2C)CC1
Show InChI InChI=1S/C25H25Cl3N4O2S/c1-15-21(14-32-11-9-31(2)10-12-32)35-23(22(15)28)25(34)30-20-8-5-17(27)13-19(20)24(33)29-18-6-3-16(26)4-7-18/h3-8,13H,9-12,14H2,1-2H3,(H,29,33)(H,30,34)
Affinity DataKi:  10nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17244(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CN1CCN(Cc2c(C)sc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c2Cl)CC1
Show InChI InChI=1S/C25H25Cl3N4O2S/c1-15-20(14-32-11-9-31(2)10-12-32)22(28)23(35-15)25(34)30-21-8-5-17(27)13-19(21)24(33)29-18-6-3-16(26)4-7-18/h3-8,13H,9-12,14H2,1-2H3,(H,29,33)(H,30,34)
Affinity DataKi:  12nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17272(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES COCCOCc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C22H19Cl3N2O4S/c1-30-8-9-31-11-13-12-32-20(19(13)25)22(29)27-18-7-4-15(24)10-17(18)21(28)26-16-5-2-14(23)3-6-16/h2-7,10,12H,8-9,11H2,1H3,(H,26,28)(H,27,29)
Affinity DataKi:  12nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17233(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CN(C)Cc1ccc2c(Cl)c(sc2c1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C25H20Cl3N3O2S/c1-31(2)13-14-3-9-18-21(11-14)34-23(22(18)28)25(33)30-20-10-6-16(27)12-19(20)24(32)29-17-7-4-15(26)5-8-17/h3-12H,13H2,1-2H3,(H,29,32)(H,30,33)
Affinity DataKi:  14nM ΔG°:  -44.4kJ/molepH: 7.5 T: 2°CAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17237(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES Cc1csc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl
Show InChI InChI=1S/C19H13Cl3N2O2S/c1-10-9-27-17(16(10)22)19(26)24-15-7-4-12(21)8-14(15)18(25)23-13-5-2-11(20)3-6-13/h2-9H,1H3,(H,23,25)(H,24,26)
Affinity DataKi:  18nM ΔG°:  -43.8kJ/molepH: 7.5 T: 2°CAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17234(N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-3...)
Show SMILES CN1CCN(Cc2c(sc3ccccc23)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C28H26Cl2N4O2S/c1-33-12-14-34(15-13-33)17-23-21-4-2-3-5-25(21)37-26(23)28(36)32-24-11-8-19(30)16-22(24)27(35)31-20-9-6-18(29)7-10-20/h2-11,16H,12-15,17H2,1H3,(H,31,35)(H,32,36)
Affinity DataKi:  20nM ΔG°:  -43.5kJ/molepH: 7.5 T: 2°CAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17274(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CC1(C)OCC(COCc2csc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c2Cl)O1
Show InChI InChI=1S/C25H23Cl3N2O5S/c1-25(2)34-12-18(35-25)11-33-10-14-13-36-22(21(14)28)24(32)30-20-8-5-16(27)9-19(20)23(31)29-17-6-3-15(26)4-7-17/h3-9,13,18H,10-12H2,1-2H3,(H,29,31)(H,30,32)
Affinity DataKi:  20nMAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17235(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES CN1CCN(Cc2ccc3c(Cl)c(sc3c2)C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C28H25Cl3N4O2S/c1-34-10-12-35(13-11-34)16-17-2-8-21-24(14-17)38-26(25(21)31)28(37)33-23-9-5-19(30)15-22(23)27(36)32-20-6-3-18(29)4-7-20/h2-9,14-15H,10-13,16H2,1H3,(H,32,36)(H,33,37)
Affinity DataKi:  21nM ΔG°:  -43.4kJ/molepH: 7.5 T: 2°CAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17238(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES Cc1cc(Cl)c(s1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C19H13Cl3N2O2S/c1-10-8-15(22)17(27-10)19(26)24-16-7-4-12(21)9-14(16)18(25)23-13-5-2-11(20)3-6-13/h2-9H,1H3,(H,23,25)(H,24,26)
Affinity DataKi:  24nM ΔG°:  -43.1kJ/molepH: 7.5 T: 2°CAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17241(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES Clc1cc(CN2CCOCC2)sc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C23H20Cl3N3O3S/c24-14-1-4-16(5-2-14)27-22(30)18-11-15(25)3-6-20(18)28-23(31)21-19(26)12-17(33-21)13-29-7-9-32-10-8-29/h1-6,11-12H,7-10,13H2,(H,27,30)(H,28,31)
Affinity DataKi:  34nM ΔG°:  -42.2kJ/molepH: 7.5 T: 2°CAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Berlex

LigandPNGBDBM17230(3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]...)
Show SMILES Cc1ccc2sc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)c(Cl)c2c1
Show InChI InChI=1S/C23H15Cl3N2O2S/c1-12-2-9-19-17(10-12)20(26)21(31-19)23(30)28-18-8-5-14(25)11-16(18)22(29)27-15-6-3-13(24)4-7-15/h2-11H,1H3,(H,27,29)(H,28,30)
Affinity DataKi:  54nM ΔG°:  -41.1kJ/molepH: 7.5 T: 2°CAssay Description:The enzyme activities were determined kinetically as the initial rate of cleavage of a peptide p-nitroanilide. Km for enzyme and substrate was determ...More data for this Ligand-Target Pair
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