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Patent code US9758480

Compile Data Set for Download or QSAR
Found 44 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Coagulation factor XI


(Homo sapiens (Human))
BDBM339876
PNG
(US9758480, 14 | tert-Butyl trans-4-{cis-2-[3-fluor...)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc(-c2nc(=O)o[nH]2)c(F)c1)c1ccccc1
Show InChI InChI=1S/C27H30FN5O4/c28-22-14-19(10-11-21(22)24-31-27(36)37-32-24)30-25(34)23-20(17-4-2-1-3-5-17)12-13-33(23)26(35)18-8-6-16(15-29)7-9-18/h1-5,10-11,14,16,18,20,23H,6-9,12-13,15,29H2,(H,30,34)(H,31,32,36)/t16-,18-,20-,23-/m0/s1
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US Patent
n/an/a 130n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339925
PNG
(Tetrahydro-2H-pyran-4-ylmethyl 5-{[(3S)-1-[(trans-...)
Show SMILES CN(C)S(=O)(=O)NC(=O)c1cc2cc(NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@H]3CC[C@@H](CC3)[C@H](N)CF)C3CCCCC3)ccc2o1
Show InChI InChI=1S/C31H44FN5O6S/c1-36(2)44(41,42)35-29(38)27-17-22-16-23(12-13-26(22)43-27)34-30(39)28-24(19-6-4-3-5-7-19)14-15-37(28)31(40)21-10-8-20(9-11-21)25(33)18-32/h12-13,16-17,19-21,24-25,28H,3-11,14-15,18,33H2,1-2H3,(H,34,39)(H,35,38)/t20-,21-,24-,25+,28-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339918
PNG
((2S)-2-Methoxypropyl 5-{[(3R)-1-[(trans-4-{(1S)-1-...)
Show SMILES Cc1oc(=O)oc1COC(=O)c1cc2cc(NC(=O)[C@@H]3[C@H](CCN3C(=O)[C@H]3CC[C@@H](CC3)[C@H](N)CF)c3ccccc3)ccc2[nH]1
Show InChI InChI=1S/C34H37FN4O7/c1-19-29(46-34(43)45-19)18-44-33(42)28-16-23-15-24(11-12-27(23)38-28)37-31(40)30-25(20-5-3-2-4-6-20)13-14-39(30)32(41)22-9-7-21(8-10-22)26(36)17-35/h2-6,11-12,15-16,21-22,25-26,30,38H,7-10,13-14,17-18,36H2,1H3,(H,37,40)/t21-,22-,25-,26-,30+/m1/s1
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n/an/a 300n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339923
PNG
(US9758480, 196)
Show SMILES COCCOCCCOC(=O)c1cc2cc(NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@H]3CC[C@@H](CC3)[C@H](N)CF)C3CC[C@@H](CC3)OC)ccc2o1
Show InChI InChI=1S/C36H52FN3O8/c1-44-18-19-46-16-3-17-47-36(43)32-21-26-20-27(10-13-31(26)48-32)39-34(41)33-29(23-8-11-28(45-2)12-9-23)14-15-40(33)35(42)25-6-4-24(5-7-25)30(38)22-37/h10,13,20-21,23-25,28-30,33H,3-9,11-12,14-19,22,38H2,1-2H3,(H,39,41)/t23?,24-,25-,28-,29-,30+,33-/m0/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339887
PNG
(5-[(2S,3S)-1-{trans-4-[1-(tert-Butoxycarbonyl)amin...)
Show SMILES Cn1c(cc2cc(NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@H]3CC[C@@H](CC3)C(N)CF)C3CCCCC3)ccc12)C(O)=O
Show InChI InChI=1S/C30H41FN4O4/c1-34-25-12-11-22(15-21(25)16-26(34)30(38)39)33-28(36)27-23(18-5-3-2-4-6-18)13-14-35(27)29(37)20-9-7-19(8-10-20)24(32)17-31/h11-12,15-16,18-20,23-24,27H,2-10,13-14,17,32H2,1H3,(H,33,36)(H,38,39)/t19-,20-,23-,24?,27-/m0/s1
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n/an/a 82n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339889
PNG
(US9758480, 35)
Show SMILES NC(CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O)C1CCCCC1
Show InChI InChI=1S/C29H39FN4O4/c30-16-23(31)18-6-8-19(9-7-18)28(36)34-13-12-22(17-4-2-1-3-5-17)26(34)27(35)32-21-10-11-24-20(14-21)15-25(33-24)29(37)38/h10-11,14-15,17-19,22-23,26,33H,1-9,12-13,16,31H2,(H,32,35)(H,37,38)/t18-,19-,22-,23?,26-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339895
PNG
(US9758480, 50)
Show SMILES NC(CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@H]([C@H]1C(=O)Nc1ccc2oc(cc2c1)C(O)=O)C1CCCCC1
Show InChI InChI=1S/C29H38FN3O5/c30-16-23(31)18-6-8-19(9-7-18)28(35)33-13-12-22(17-4-2-1-3-5-17)26(33)27(34)32-21-10-11-24-20(14-21)15-25(38-24)29(36)37/h10-11,14-15,17-19,22-23,26H,1-9,12-13,16,31H2,(H,32,34)(H,36,37)/t18-,19-,22-,23?,26+/m1/s1
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n/an/a 84n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339897
PNG
(US9758480, 55)
Show SMILES Cc1c(oc2ccc(NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@H]3CC[C@@H](CC3)[C@H](N)CF)C3CCCCC3)cc12)C(O)=O
Show InChI InChI=1S/C30H40FN3O5/c1-17-23-15-21(11-12-25(23)39-27(17)30(37)38)33-28(35)26-22(18-5-3-2-4-6-18)13-14-34(26)29(36)20-9-7-19(8-10-20)24(32)16-31/h11-12,15,18-20,22,24,26H,2-10,13-14,16,32H2,1H3,(H,33,35)(H,37,38)/t19-,20-,22-,24+,26-/m0/s1
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n/an/a 220n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339901
PNG
(US9758480, 103)
Show SMILES CO[C@H]1CCC(CC1)[C@@H]1CCN([C@@H]1C(=O)Nc1ccc2oc(cc2c1)C(O)=O)C(=O)[C@H]1CC[C@@H](CC1)[C@H](N)CF
Show InChI InChI=1S/C30H40FN3O6/c1-39-22-9-6-17(7-10-22)23-12-13-34(29(36)19-4-2-18(3-5-19)24(32)16-31)27(23)28(35)33-21-8-11-25-20(14-21)15-26(40-25)30(37)38/h8,11,14-15,17-19,22-24,27H,2-7,9-10,12-13,16,32H2,1H3,(H,33,35)(H,37,38)/t17?,18-,19-,22-,23-,24+,27-/m0/s1
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n/an/a 2.35E+3n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339904
PNG
(US9758480, 115)
Show SMILES Cc1noc(n1)-c1ccc(NC(=O)[C@@H]2[C@@H](CCN2C(=O)[C@H]2CC[C@@H](CC2)[C@H](N)CF)C2CCCCC2)cc1
Show InChI InChI=1S/C29H40FN5O3/c1-18-32-28(38-34-18)21-11-13-23(14-12-21)33-27(36)26-24(19-5-3-2-4-6-19)15-16-35(26)29(37)22-9-7-20(8-10-22)25(31)17-30/h11-14,19-20,22,24-26H,2-10,15-17,31H2,1H3,(H,33,36)/t20-,22-,24-,25+,26-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339913
PNG
(3-Ethoxypropyl 5-({(3R)-1-[(trans-4-{(1S)-1-[(tert...)
Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc2cc(cc2c1)C(=O)OCC1CCOCC1)C1CCCCC1
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n/an/a 3.45E+3n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339927
PNG
(Cyclopropylmethyl 5-{[(3S)-1-[(trans-4-{(1S)-1-[(t...)
Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc2[nH]c(cc2c1)C(=O)NS(=O)(=O)N1CCCCC1)C1CCCCC1
Show InChI InChI=1S/C34H49FN6O5S/c35-21-28(36)23-9-11-24(12-10-23)34(44)41-18-15-27(22-7-3-1-4-8-22)31(41)33(43)37-26-13-14-29-25(19-26)20-30(38-29)32(42)39-47(45,46)40-16-5-2-6-17-40/h13-14,19-20,22-24,27-28,31,38H,1-12,15-18,21,36H2,(H,37,43)(H,39,42)/t23-,24-,27-,28+,31-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339891
PNG
(5-[(2S,3S)-1-{trans-4-[1-(tert-Butoxycarbonyl)amin...)
Show SMILES Cc1c([nH]c2ccc(NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@H]3CC[C@@H](CC3)C(N)CF)C3CCCCC3)cc12)C(O)=O
Show InChI InChI=1S/C30H41FN4O4/c1-17-23-15-21(11-12-25(23)34-26(17)30(38)39)33-28(36)27-22(18-5-3-2-4-6-18)13-14-35(27)29(37)20-9-7-19(8-10-20)24(32)16-31/h11-12,15,18-20,22,24,27,34H,2-10,13-14,16,32H2,1H3,(H,33,36)(H,38,39)/t19-,20-,22-,24?,27-/m0/s1
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n/an/a 63n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339903
PNG
(US9758480, 114)
Show SMILES CS(=O)(=O)NC(=O)c1cc2cc(NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@H]3CC[C@@H](CC3)[C@H](N)CF)C3CCCCC3)ccc2[nH]1
Show InChI InChI=1S/C30H42FN5O5S/c1-42(40,41)35-28(37)26-16-21-15-22(11-12-25(21)34-26)33-29(38)27-23(18-5-3-2-4-6-18)13-14-36(27)30(39)20-9-7-19(8-10-20)24(32)17-31/h11-12,15-16,18-20,23-24,27,34H,2-10,13-14,17,32H2,1H3,(H,33,38)(H,35,37)/t19-,20-,23-,24+,27-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339906
PNG
((2S)-Tetrahydrofuran-2-ylmethyl 5-({(3S)-1-[(trans...)
Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@H]([C@H]1C(=O)Nc1ccc2oc(cc2c1)C(=O)NS(=O)(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C35H37FN4O6S/c36-21-29(37)23-11-13-24(14-12-23)35(43)40-18-17-28(22-7-3-1-4-8-22)32(40)34(42)38-26-15-16-30-25(19-26)20-31(46-30)33(41)39-47(44,45)27-9-5-2-6-10-27/h1-10,15-16,19-20,23-24,28-29,32H,11-14,17-18,21,37H2,(H,38,42)(H,39,41)/t23-,24-,28-,29-,32+/m1/s1
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n/an/a 43n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339914
PNG
(US9758480, 146)
Show SMILES N[C@H](C(F)F)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc2oc(cc2c1)C(O)=O)C1CCCCC1
Show InChI InChI=1S/C29H37F2N3O5/c30-26(31)24(32)17-6-8-18(9-7-17)28(36)34-13-12-21(16-4-2-1-3-5-16)25(34)27(35)33-20-10-11-22-19(14-20)15-23(39-22)29(37)38/h10-11,14-18,21,24-26H,1-9,12-13,32H2,(H,33,35)(H,37,38)/t17-,18-,21-,24-,25-/m0/s1
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n/an/a 916n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339915
PNG
(US9758480, 147)
Show SMILES CS(=O)(=O)NC(=O)c1ccc(NC(=O)[C@@H]2[C@@H](CCN2C(=O)[C@H]2CC[C@@H](CC2)[C@H](N)CF)C2CCCCC2)cc1
Show InChI InChI=1S/C28H41FN4O5S/c1-39(37,38)32-26(34)20-11-13-22(14-12-20)31-27(35)25-23(18-5-3-2-4-6-18)15-16-33(25)28(36)21-9-7-19(8-10-21)24(30)17-29/h11-14,18-19,21,23-25H,2-10,15-17,30H2,1H3,(H,31,35)(H,32,34)/t19-,21-,23-,24+,25-/m0/s1
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n/an/a 205n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339921
PNG
(US9758480, 186 | tert-Butyl [(1S)-1-(trans-4-{[(2S...)
Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc2[nH]c(C(O)=O)c(Cl)c2c1)c1ccccc1
Show InChI InChI=1S/C29H32ClFN4O4/c30-24-21-14-19(10-11-23(21)34-25(24)29(38)39)33-27(36)26-20(16-4-2-1-3-5-16)12-13-35(26)28(37)18-8-6-17(7-9-18)22(32)15-31/h1-5,10-11,14,17-18,20,22,26,34H,6-9,12-13,15,32H2,(H,33,36)(H,38,39)/t17-,18-,20-,22+,26-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339874
PNG
(5-{cis-1-[trans-4-(Aminomethyl)cyclohexanecarbonyl...)
Show SMILES CN(C(=O)C1C(CCN1C(=O)[C@H]1CC[C@H](CN)CC1)c1ccccc1)c1ccc2[nH]c(cc2c1)C(O)=O
Show InChI InChI=1S/C29H34N4O4/c1-32(22-11-12-24-21(15-22)16-25(31-24)29(36)37)28(35)26-23(19-5-3-2-4-6-19)13-14-33(26)27(34)20-9-7-18(17-30)8-10-20/h2-6,11-12,15-16,18,20,23,26,31H,7-10,13-14,17,30H2,1H3,(H,36,37)/t18-,20-,23?,26?
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n/an/a 125n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339893
PNG
(5-[(2S,3S)-1-{trans-4-[1-(tert-Butoxycarbonyl)amin...)
Show SMILES NC(CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc2[nH]c(C(O)=O)c(F)c2c1)C1CCCCC1
Show InChI InChI=1S/C29H38F2N4O4/c30-15-22(32)17-6-8-18(9-7-17)28(37)35-13-12-20(16-4-2-1-3-5-16)26(35)27(36)33-19-10-11-23-21(14-19)24(31)25(34-23)29(38)39/h10-11,14,16-18,20,22,26,34H,1-9,12-13,15,32H2,(H,33,36)(H,38,39)/t17-,18-,20-,22?,26-/m0/s1
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n/an/a 45n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339900
PNG
(US9758480, 102)
Show SMILES CO[C@H]1CCC(CC1)[C@@H]1CCN([C@@H]1C(=O)Nc1ccc2oc(cc2c1)C(O)=O)C(=O)[C@H]1CC[C@@H](CC1)[C@H](N)CF
Show InChI InChI=1S/C30H40FN3O6/c1-39-22-9-6-17(7-10-22)23-12-13-34(29(36)19-4-2-18(3-5-19)24(32)16-31)27(23)28(35)33-21-8-11-25-20(14-21)15-26(40-25)30(37)38/h8,11,14-15,17-19,22-24,27H,2-7,9-10,12-13,16,32H2,1H3,(H,33,35)(H,37,38)/t17?,18-,19-,22-,23-,24+,27-/m0/s1
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n/an/a 93n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339902
PNG
(US9758480, 113)
Show SMILES Cc1c([nH]c2ccc(NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@H]3CC[C@@H](CC3)[C@H](N)CF)C3CCCCC3)cc12)C(O)=O
Show InChI InChI=1S/C30H41FN4O4/c1-17-23-15-21(11-12-25(23)34-26(17)30(38)39)33-28(36)27-22(18-5-3-2-4-6-18)13-14-35(27)29(37)20-9-7-19(8-10-20)24(32)16-31/h11-12,15,18-20,22,24,27,34H,2-10,13-14,16,32H2,1H3,(H,33,36)(H,38,39)/t19-,20-,22-,24+,27-/m0/s1
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n/an/a 145n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339905
PNG
(US9758480, 118)
Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@H]([C@H]1C(=O)Nc1ccc2[nH]c(cc2c1)C(=O)NS(=O)(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C35H38FN5O5S/c36-21-29(37)23-11-13-24(14-12-23)35(44)41-18-17-28(22-7-3-1-4-8-22)32(41)34(43)38-26-15-16-30-25(19-26)20-31(39-30)33(42)40-47(45,46)27-9-5-2-6-10-27/h1-10,15-16,19-20,23-24,28-29,32,39H,11-14,17-18,21,37H2,(H,38,43)(H,40,42)/t23-,24-,28-,29-,32+/m1/s1
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n/an/a 65n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339890
PNG
(US9758480, 38)
Show SMILES NC(CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H32F2N4O4/c30-15-23(32)17-1-3-18(4-2-17)28(37)35-12-11-22(16-5-7-20(31)8-6-16)26(35)27(36)33-21-9-10-24-19(13-21)14-25(34-24)29(38)39/h5-10,13-14,17-18,22-23,26,34H,1-4,11-12,15,32H2,(H,33,36)(H,38,39)/t17-,18-,22-,23?,26-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339894
PNG
(5-[(2S,3R)-1-{trans-4-[1-(tert-Butoxycarbonylamino...)
Show SMILES CC(N)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@H]([C@H]1C(=O)Nc1ccc2oc(cc2c1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C29H33N3O5/c1-17(30)18-7-9-20(10-8-18)28(34)32-14-13-23(19-5-3-2-4-6-19)26(32)27(33)31-22-11-12-24-21(15-22)16-25(37-24)29(35)36/h2-6,11-12,15-18,20,23,26H,7-10,13-14,30H2,1H3,(H,31,33)(H,35,36)/t17?,18-,20-,23-,26+/m1/s1
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n/an/a 90n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339898
PNG
(US9758480, 96)
Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc(cc1)C(O)=O)C1CCCCC1
Show InChI InChI=1S/C27H38FN3O4/c28-16-23(29)18-6-8-19(9-7-18)26(33)31-15-14-22(17-4-2-1-3-5-17)24(31)25(32)30-21-12-10-20(11-13-21)27(34)35/h10-13,17-19,22-24H,1-9,14-16,29H2,(H,30,32)(H,34,35)/t18-,19-,22-,23+,24-/m0/s1
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n/an/a 98n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339909
PNG
(US9758480, 133)
Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc(C(=O)NS(=O)(=O)c2ccccc2)c(F)c1)C1CCCCC1
Show InChI InChI=1S/C33H42F2N4O5S/c34-20-29(36)22-11-13-23(14-12-22)33(42)39-18-17-26(21-7-3-1-4-8-21)30(39)32(41)37-24-15-16-27(28(35)19-24)31(40)38-45(43,44)25-9-5-2-6-10-25/h2,5-6,9-10,15-16,19,21-23,26,29-30H,1,3-4,7-8,11-14,17-18,20,36H2,(H,37,41)(H,38,40)/t22-,23-,26-,29+,30-/m0/s1
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n/an/a 99n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339910
PNG
(US9758480, 134)
Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc(C(=O)NS(=O)(=O)c2ccccn2)c(F)c1)C1CCCCC1
Show InChI InChI=1S/C32H41F2N5O5S/c33-19-27(35)21-9-11-22(12-10-21)32(42)39-17-15-24(20-6-2-1-3-7-20)29(39)31(41)37-23-13-14-25(26(34)18-23)30(40)38-45(43,44)28-8-4-5-16-36-28/h4-5,8,13-14,16,18,20-22,24,27,29H,1-3,6-7,9-12,15,17,19,35H2,(H,37,41)(H,38,40)/t21-,22-,24-,27+,29-/m0/s1
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n/an/a 54n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339919
PNG
(Cyclopentylmethyl 5-{[(3S)-1-[(trans-4-{(1S)-1-[(t...)
Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@H]([C@H]1C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H32F2N4O4/c30-15-23(32)17-1-3-18(4-2-17)28(37)35-12-11-22(16-5-7-20(31)8-6-16)26(35)27(36)33-21-9-10-24-19(13-21)14-25(34-24)29(38)39/h5-10,13-14,17-18,22-23,26,34H,1-4,11-12,15,32H2,(H,33,36)(H,38,39)/t17-,18-,22-,23-,26+/m1/s1
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n/an/a 33n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339922
PNG
((3S)-1-[(trans-4-{(1S)-1-[(tert-Butoxycarbonyl)ami...)
Show SMILES CO[C@H]1CCC(CC1)[C@@H]1CCN([C@@H]1C(=O)Nc1ccc2oc(C(O)=O)c(Cl)c2c1)C(=O)[C@H]1CC[C@@H](CC1)[C@H](N)CF
Show InChI InChI=1S/C30H39ClFN3O6/c1-40-20-9-6-16(7-10-20)21-12-13-35(29(37)18-4-2-17(3-5-18)23(33)15-32)26(21)28(36)34-19-8-11-24-22(14-19)25(31)27(41-24)30(38)39/h8,11,14,16-18,20-21,23,26H,2-7,9-10,12-13,15,33H2,1H3,(H,34,36)(H,38,39)/t16?,17-,18-,20-,21-,23+,26-/m0/s1
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n/an/a 285n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339884
PNG
(5-{(2S,3S)-1-[trans-4-(tert-Butoxycarbonylaminomet...)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N1CCC([C@H]1C(=O)Nc1ccc2[nH]c(cc2c1)C(N)=O)c1ccccc1
Show InChI InChI=1S/C28H33N5O3/c29-16-17-6-8-19(9-7-17)28(36)33-13-12-22(18-4-2-1-3-5-18)25(33)27(35)31-21-10-11-23-20(14-21)15-24(32-23)26(30)34/h1-5,10-11,14-15,17,19,22,25,32H,6-9,12-13,16,29H2,(H2,30,34)(H,31,35)/t17-,19-,22?,25-/m0/s1
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n/an/a 34n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339896
PNG
(5-[(2S,3S)-1-{trans-4-[(1S)-1-(tert-Butoxycarbonyl...)
Show SMILES N[C@H](CF)C1CC[C@@H](CC1)C(=O)N1CC[C@@H]([C@H]1C(=O)Nc1ccc2oc(cc2c1)C(O)=O)C1CCCCC1
Show InChI InChI=1S/C29H38FN3O5/c30-16-23(31)18-6-8-19(9-7-18)28(35)33-13-12-22(17-4-2-1-3-5-17)26(33)27(34)32-21-10-11-24-20(14-21)15-25(38-24)29(36)37/h10-11,14-15,17-19,22-23,26H,1-9,12-13,16,31H2,(H,32,34)(H,36,37)/t18?,19-,22-,23-,26+/m1/s1
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n/an/a 34n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339907
PNG
(US9758480, 122)
Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@H]([C@H]1C(=O)Nc1ccc2oc(cc2c1)C(=O)NS(=O)(=O)N1CCOCC1)c1ccccc1
Show InChI InChI=1S/C33H40FN5O7S/c34-20-27(35)22-6-8-23(9-7-22)33(42)39-13-12-26(21-4-2-1-3-5-21)30(39)32(41)36-25-10-11-28-24(18-25)19-29(46-28)31(40)37-47(43,44)38-14-16-45-17-15-38/h1-5,10-11,18-19,22-23,26-27,30H,6-9,12-17,20,35H2,(H,36,41)(H,37,40)/t22-,23-,26-,27-,30+/m1/s1
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n/an/a 690n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339908
PNG
(4-Methoxybutyl 5-({(3S)-1-[(trans-4-{(1S)-1-[(tert...)
Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@H]([C@H]1C(=O)Nc1ccc2sc(cc2c1)C(O)=O)C1CCCCC1
Show InChI InChI=1S/C29H38FN3O4S/c30-16-23(31)18-6-8-19(9-7-18)28(35)33-13-12-22(17-4-2-1-3-5-17)26(33)27(34)32-21-10-11-24-20(14-21)15-25(38-24)29(36)37/h10-11,14-15,17-19,22-23,26H,1-9,12-13,16,31H2,(H,32,34)(H,36,37)/t18-,19-,22-,23-,26+/m1/s1
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n/an/a 195n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339911
PNG
(US9758480, 137)
Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc(C(=O)NCc2ccccc2)c(F)c1)C1CCCCC1
Show InChI InChI=1S/C34H44F2N4O3/c35-20-30(37)24-11-13-25(14-12-24)34(43)40-18-17-27(23-9-5-2-6-10-23)31(40)33(42)39-26-15-16-28(29(36)19-26)32(41)38-21-22-7-3-1-4-8-22/h1,3-4,7-8,15-16,19,23-25,27,30-31H,2,5-6,9-14,17-18,20-21,37H2,(H,38,41)(H,39,42)/t24-,25-,27-,30+,31-/m0/s1
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n/an/a 380n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339916
PNG
(US9758480, 148)
Show SMILES COC(=O)Nc1nc2ccc(NC(=O)[C@@H]3[C@@H](CCN3C(=O)[C@H]3CC[C@@H](CC3)[C@H](N)CF)C3CCCCC3)cc2s1
Show InChI InChI=1S/C29H40FN5O4S/c1-39-29(38)34-28-33-23-12-11-20(15-24(23)40-28)32-26(36)25-21(17-5-3-2-4-6-17)13-14-35(25)27(37)19-9-7-18(8-10-19)22(31)16-30/h11-12,15,17-19,21-22,25H,2-10,13-14,16,31H2,1H3,(H,32,36)(H,33,34,38)/t18-,19-,21-,22+,25-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339917
PNG
(US9758480, 170)
Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@H]([C@H]1C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C29H33FN4O4/c30-16-23(31)18-6-8-19(9-7-18)28(36)34-13-12-22(17-4-2-1-3-5-17)26(34)27(35)32-21-10-11-24-20(14-21)15-25(33-24)29(37)38/h1-5,10-11,14-15,18-19,22-23,26,33H,6-9,12-13,16,31H2,(H,32,35)(H,37,38)/t18-,19-,22-,23-,26+/m1/s1
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n/an/a 76n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339920
PNG
(US9758480, 184 | tert-Butyl [(1S)-1-(trans-4-{[(2S...)
Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc2[nH]c(C(O)=O)c(Cl)c2c1)C1CCCCC1
Show InChI InChI=1S/C29H38ClFN4O4/c30-24-21-14-19(10-11-23(21)34-25(24)29(38)39)33-27(36)26-20(16-4-2-1-3-5-16)12-13-35(26)28(37)18-8-6-17(7-9-18)22(32)15-31/h10-11,14,16-18,20,22,26,34H,1-9,12-13,15,32H2,(H,33,36)(H,38,39)/t17-,18-,20-,22+,26-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339926
PNG
(Pentyl 5-{[(3S)-1-[(trans-4-{(1S)-1-[(tert-butoxyc...)
Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc2[nH]c(cc2c1)C(=O)NS(=O)(=O)N1CCOCC1)C1CCCCC1
Show InChI InChI=1S/C33H47FN6O6S/c34-20-27(35)22-6-8-23(9-7-22)33(43)40-13-12-26(21-4-2-1-3-5-21)30(40)32(42)36-25-10-11-28-24(18-25)19-29(37-28)31(41)38-47(44,45)39-14-16-46-17-15-39/h10-11,18-19,21-23,26-27,30,37H,1-9,12-17,20,35H2,(H,36,42)(H,38,41)/t22-,23-,26-,27+,30-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339888
PNG
(US9758480, 34)
Show SMILES NC(CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc2[nH]c(C(O)=O)c(Cl)c2c1)C1CCCCC1
Show InChI InChI=1S/C29H38ClFN4O4/c30-24-21-14-19(10-11-23(21)34-25(24)29(38)39)33-27(36)26-20(16-4-2-1-3-5-16)12-13-35(26)28(37)18-8-6-17(7-9-18)22(32)15-31/h10-11,14,16-18,20,22,26,34H,1-9,12-13,15,32H2,(H,33,36)(H,38,39)/t17-,18-,20-,22?,26-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339899
PNG
((3S)-1-[(trans-4-{(1S)-1-[(tert-Butoxycarbonyl)ami...)
Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O)C1CCCCC1
Show InChI InChI=1S/C29H39FN4O4/c30-16-23(31)18-6-8-19(9-7-18)28(36)34-13-12-22(17-4-2-1-3-5-17)26(34)27(35)32-21-10-11-24-20(14-21)15-25(33-24)29(37)38/h10-11,14-15,17-19,22-23,26,33H,1-9,12-13,16,31H2,(H,32,35)(H,37,38)/t18-,19-,22-,23+,26-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339912
PNG
(US9758480, 138)
Show SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)NC1=CN2C(Cl)C(N=C2C=C1)C(O)=O)C1CCCCC1
Show InChI InChI=1S/C28H39ClFN5O4/c29-25-23(28(38)39)33-22-11-10-19(15-35(22)25)32-26(36)24-20(16-4-2-1-3-5-16)12-13-34(24)27(37)18-8-6-17(7-9-18)21(31)14-30/h10-11,15-18,20-21,23-25H,1-9,12-14,31H2,(H,32,36)(H,38,39)/t17-,18-,20-,21+,23?,24-,25?/m0/s1
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n/an/a 72n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339924
PNG
(3-(Morpholin-4-yl)propyl 5-{[(3S)-1-[(trans-4-{(1S...)
Show SMILES CO[C@H]1CCC(CC1)[C@@H]1CCN([C@@H]1C(=O)Nc1ccc2oc(cc2c1)C(=O)OCC(C)C)C(=O)[C@H]1CC[C@@H](CC1)[C@H](N)CF
Show InChI InChI=1S/C34H48FN3O6/c1-20(2)19-43-34(41)30-17-24-16-25(10-13-29(24)44-30)37-32(39)31-27(21-8-11-26(42-3)12-9-21)14-15-38(31)33(40)23-6-4-22(5-7-23)28(36)18-35/h10,13,16-17,20-23,26-28,31H,4-9,11-12,14-15,18-19,36H2,1-3H3,(H,37,39)/t21?,22-,23-,26-,27-,28+,31-/m0/s1
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n/an/a 4.10E+3n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM339882
PNG
(5-{(2S,3S)-1-[trans-4-(tert-Butoxycarbonylaminomet...)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N1CCC([C@H]1C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C28H32N4O4/c29-16-17-6-8-19(9-7-17)27(34)32-13-12-22(18-4-2-1-3-5-18)25(32)26(33)30-21-10-11-23-20(14-21)15-24(31-23)28(35)36/h1-5,10-11,14-15,17,19,22,25,31H,6-9,12-13,16,29H2,(H,30,33)(H,35,36)/t17-,19-,22?,25-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



SUMITOMO DAINIPPON PHARMA CO., LTD.

US Patent


Assay Description
0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...


US Patent US9758480 (2017)


Article DOI: 10.1021/jm0303857
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%