BindingDB logo
myBDB logout

Patent code US9802939

Compile Data Set for Download or QSAR
Found 77 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))
BDBM142864
PNG
(US8940720, 90 | US9802939, 90)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)CC\C=C\C[C@H](NC(=O)[C@H]3CC[C@H](CN)CC3)c3cc-2ccn3)c1
Show InChI InChI=1S/C28H35N5O4/c1-37-28(36)31-21-11-12-22-20-13-14-30-25(15-20)23(5-3-2-4-6-26(34)32-24(22)16-21)33-27(35)19-9-7-18(17-29)8-10-19/h2-3,11-16,18-19,23H,4-10,17,29H2,1H3,(H,31,36)(H,32,34)(H,33,35)/b3-2+/t18-,19-,23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352295
PNG
(US9802939, I-21)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)C(C\C=C\CC(=O)Nc2c1)NC(=O)c1c(F)cc2n(C)cnc2c1F
Show InChI InChI=1S/C26H23F2N7O4/c1-35-12-30-23-19(35)10-15(27)21(22(23)28)25(37)34-16-5-3-4-6-20(36)32-17-9-13(31-26(38)39-2)7-8-14(17)18-11-29-24(16)33-18/h3-4,7-12,16H,5-6H2,1-2H3,(H,29,33)(H,31,38)(H,32,36)(H,34,37)/b4-3+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142866
PNG
(US8940720, 121 | US9802939, 121)
Show SMILES Clc1[nH]c2nc1-c1ccccc1NC(=O)OC\C=C\C[C@@H]2NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C25H20Cl2N8O3/c26-16-9-10-20(35-14-28-33-34-35)15(13-16)8-11-21(36)29-19-7-3-4-12-38-25(37)30-18-6-2-1-5-17(18)22-23(27)32-24(19)31-22/h1-6,8-11,13-14,19H,7,12H2,(H,29,36)(H,30,37)(H,31,32)/b4-3-,11-8+/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142890
PNG
(US8940720, II-3 | US9802939, II-3)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)CC\C=C\C[C@H](NC(=O)c3ccc(cc3)C(N)=N)c3cc-2ccn3)c1
Show InChI InChI=1S/C28H28N6O4/c1-38-28(37)32-20-11-12-21-19-13-14-31-24(15-19)22(5-3-2-4-6-25(35)33-23(21)16-20)34-27(36)18-9-7-17(8-10-18)26(29)30/h2-3,7-16,22H,4-6H2,1H3,(H3,29,30)(H,32,37)(H,33,35)(H,34,36)/b3-2+/t22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352297
PNG
(US9802939, I-59)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)C(C\C=C\C(C)C(=O)Nc2c1)NC(=O)c1c(F)cc2n(C)ccc2c1F
Show InChI InChI=1S/C28H26F2N6O4/c1-14-5-4-6-19(34-27(38)23-18(29)12-22-17(24(23)30)9-10-36(22)2)25-31-13-21(33-25)16-8-7-15(32-28(39)40-3)11-20(16)35-26(14)37/h4-5,7-14,19H,6H2,1-3H3,(H,31,33)(H,32,39)(H,34,38)(H,35,37)/b5-4+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352302
PNG
(US9802939, I-77 | {(9R,14S)-14-[(E)-3-(5-Chloro-2-...)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCC[C@H](CO)[C@H](CO)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C29H32ClN9O5/c1-44-29(43)33-20-7-8-21-23(12-20)34-25(15-41)18(14-40)3-2-4-22(28-31-13-24(21)36-28)35-27(42)10-5-17-11-19(30)6-9-26(17)39-16-32-37-38-39/h5-13,16,18,22,25,34,40-41H,2-4,14-15H2,1H3,(H,31,36)(H,33,43)(H,35,42)/b10-5+/t18-,22+,25+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352315
PNG
(US9802939, I-124)
Show SMILES COCCOC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCCNc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C29H32ClN9O4/c1-42-13-14-43-29(41)34-21-8-9-22-24(16-21)31-12-4-2-3-5-23(28-32-17-25(22)36-28)35-27(40)11-6-19-15-20(30)7-10-26(19)39-18-33-37-38-39/h6-11,15-18,23,31H,2-5,12-14H2,1H3,(H,32,36)(H,34,41)(H,35,40)/b11-6+/t23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142924
PNG
(US8940720, I-251 | US9802939, I-251)
Show SMILES CCOC(=O)[C@H]1CCCC[C@H](NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c2nc(c([nH]2)C#N)-c2ccc(NC(=O)OC)cc2N1
Show InChI InChI=1S/C31H31ClN10O5/c1-3-47-30(44)23-7-5-4-6-22(37-27(43)13-8-18-14-19(32)9-12-26(18)42-17-34-40-41-42)29-38-25(16-33)28(39-29)21-11-10-20(15-24(21)36-23)35-31(45)46-2/h8-15,17,22-23,36H,3-7H2,1-2H3,(H,35,45)(H,37,43)(H,38,39)/b13-8+/t22-,23+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142885
PNG
(US8940720, I-278 | US9802939, I-278)
Show SMILES COCCOC(=O)Nc1ccc2-c3nc([nH]c3C#N)[C@H](CCCC[C@@H](Nc2c1)C(=O)OC)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C32H33ClN10O6/c1-47-13-14-49-32(46)36-21-9-10-22-25(16-21)37-24(31(45)48-2)6-4-3-5-23(30-39-26(17-34)29(22)40-30)38-28(44)12-7-19-15-20(33)8-11-27(19)43-18-35-41-42-43/h7-12,15-16,18,23-24,37H,3-6,13-14H2,1-2H3,(H,36,46)(H,38,44)(H,39,40)/b12-7+/t23-,24+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142927
PNG
(US8940720, II-13 | US9802939, II-13)
Show SMILES COC(=O)Nc1ccc-2c(NC(CCCC[C@H](NC(=O)C3CC[C@H](CN)CC3)c3cc-2ccn3)C(F)(F)F)c1
Show InChI InChI=1S/C28H36F3N5O3/c1-39-27(38)34-20-10-11-21-19-12-13-33-24(14-19)22(36-26(37)18-8-6-17(16-32)7-9-18)4-2-3-5-25(28(29,30)31)35-23(21)15-20/h10-15,17-18,22,25,35H,2-9,16,32H2,1H3,(H,34,38)(H,36,37)/t17-,18?,22-,25?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352337
PNG
(US9802939, I-311)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](C\C=C\CC(=O)Nc2c1)NC(=O)\C=C\c1c(F)c(Cl)ccc1C(F)(F)F
Show InChI InChI=1S/C27H21Cl2F4N5O4/c1-42-26(41)34-13-6-7-15-19(12-13)36-20(39)5-3-2-4-18(25-37-23(15)24(29)38-25)35-21(40)11-8-14-16(27(31,32)33)9-10-17(28)22(14)30/h2-3,6-12,18H,4-5H2,1H3,(H,34,41)(H,35,40)(H,36,39)(H,37,38)/b3-2+,11-8+/t18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142896
PNG
(US8940720, 61 | US9802939, 61)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCC(C)CCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C29H30ClN9O4/c1-17-3-9-22(34-27(41)12-5-18-13-19(30)6-10-25(18)39-16-32-37-38-39)28-31-15-24(36-28)21-8-7-20(33-29(42)43-2)14-23(21)35-26(40)11-4-17/h5-8,10,12-17,22H,3-4,9,11H2,1-2H3,(H,31,36)(H,33,42)(H,34,41)(H,35,40)/b12-5+/t17?,22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142865
PNG
(US8940720, 93 | US9802939, 93)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)CC\C=C\CC(NC(=O)\C=C\c3cc(Cl)ccc3-n3cnnn3)c3cccc-2c3)c1
Show InChI InChI=1S/C31H28ClN7O4/c1-43-31(42)34-24-12-13-25-20-6-5-7-21(16-20)26(8-3-2-4-9-29(40)36-27(25)18-24)35-30(41)15-10-22-17-23(32)11-14-28(22)39-19-33-37-38-39/h2-3,5-7,10-19,26H,4,8-9H2,1H3,(H,34,42)(H,35,41)(H,36,40)/b3-2+,15-10+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352303
PNG
(US9802939, I-80)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCC[C@@H]([C@H](CO)Nc2c1)C(=O)N1CCCC1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C33H37ClN10O5/c1-49-33(48)37-22-9-10-23-26(16-22)38-28(18-45)24(32(47)43-13-2-3-14-43)5-4-6-25(31-35-17-27(23)40-31)39-30(46)12-7-20-15-21(34)8-11-29(20)44-19-36-41-42-44/h7-12,15-17,19,24-25,28,38,45H,2-6,13-14,18H2,1H3,(H,35,40)(H,37,48)(H,39,46)/b12-7+/t24-,25-,28-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352288
PNG
(US9802939, I-4)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)C(C\C=C\CC(=O)Nc2c1)NC(=O)c1ccc(cc1)C(N)=N
Show InChI InChI=1S/C25H25N7O4/c1-36-25(35)29-16-10-11-17-19(12-16)30-21(33)5-3-2-4-18(23-28-13-20(17)31-23)32-24(34)15-8-6-14(7-9-15)22(26)27/h2-3,6-13,18H,4-5H2,1H3,(H3,26,27)(H,28,31)(H,29,35)(H,30,33)(H,32,34)/b3-2+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142917
PNG
(US8940720, I-115 | US9802939, I-115)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3C#N)[C@H](CCCCCNc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C28H27ClN10O3/c1-42-28(41)33-19-8-9-20-22(14-19)31-12-4-2-3-5-21(27-35-23(15-30)26(20)36-27)34-25(40)11-6-17-13-18(29)7-10-24(17)39-16-32-37-38-39/h6-11,13-14,16,21,31H,2-5,12H2,1H3,(H,33,41)(H,34,40)(H,35,36)/b11-6+/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142876
PNG
(US8940720, I-134 | US9802939, I-134)
Show SMILES COC(=O)Nc1ccc2-c3cnc(o3)[C@H](CCCCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C27H25ClN8O5/c1-40-27(39)31-18-8-9-19-21(13-18)33-24(37)5-3-2-4-20(26-29-14-23(19)41-26)32-25(38)11-6-16-12-17(28)7-10-22(16)36-15-30-34-35-36/h6-15,20H,2-5H2,1H3,(H,31,39)(H,32,38)(H,33,37)/b11-6+/t20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352347
PNG
(US9802939, II-62)
Show SMILES CCOC(=O)[C@H]1CCCC[C@H](NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c2cc(cc(=O)n2)-c2ccc(NC(=O)OC)cc2N1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352289
PNG
(US9802939, I-5)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)C(C\C=C\CC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1ccnn1
Show InChI InChI=1S/C28H25ClN8O4/c1-41-28(40)32-19-8-9-20-22(15-19)34-25(38)5-3-2-4-21(27-30-16-23(20)35-27)33-26(39)11-6-17-14-18(29)7-10-24(17)37-13-12-31-36-37/h2-3,6-16,21H,4-5H2,1H3,(H,30,35)(H,32,40)(H,33,39)(H,34,38)/b3-2+,11-6+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352344
PNG
(US9802939, II-35)
Show SMILES COC(=O)Nc1ccc-2c(N[C@H](CCCC[C@H](NC(=O)\C=C\c3cc(Cl)ccc3-n3cnnn3)c3cc-2ccn3)C(=O)N2CCNCC2)c1
Show InChI InChI=1S/C34H37ClN10O4/c1-49-34(48)39-25-8-9-26-22-12-13-37-30(19-22)27(4-2-3-5-28(40-29(26)20-25)33(47)44-16-14-36-15-17-44)41-32(46)11-6-23-18-24(35)7-10-31(23)45-21-38-42-43-45/h6-13,18-21,27-28,36,40H,2-5,14-17H2,1H3,(H,39,48)(H,41,46)/b11-6+/t27-,28+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142880
PNG
(US8940720, I-227 | US9802939, I-227)
Show SMILES Fc1ccc2NC(=O)CC\C=C\C[C@H](NC(=O)\C=C\c3cc(Cl)ccc3-n3cnnn3)c3nc(c(Cl)[nH]3)-c2c1
Show InChI InChI=1S/C26H21Cl2FN8O2/c27-16-7-10-21(37-14-30-35-36-37)15(12-16)6-11-23(39)32-20-4-2-1-3-5-22(38)31-19-9-8-17(29)13-18(19)24-25(28)34-26(20)33-24/h1-2,6-14,20H,3-5H2,(H,31,38)(H,32,39)(H,33,34)/b2-1-,11-6+/t20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352320
PNG
(US9802939, I-151)
Show SMILES CC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C/CCC(=O)Nc2c1)NC(=O)c1ccc2CNCCc2c1
Show InChI InChI=1S/C28H30N6O3/c1-17(35)31-21-9-10-22-24(14-21)32-26(36)6-4-2-3-5-23(27-30-16-25(22)33-27)34-28(37)19-7-8-20-15-29-12-11-18(20)13-19/h2-3,7-10,13-14,16,23,29H,4-6,11-12,15H2,1H3,(H,30,33)(H,31,35)(H,32,36)(H,34,37)/b3-2+/t23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM47108
PNG
(US8828983, 10 | US8940720, 10 | US9802939, 10)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C27H26ClN9O4/c1-41-27(40)31-18-8-9-19-21(13-18)33-24(38)5-3-2-4-20(26-29-14-22(19)34-26)32-25(39)11-6-16-12-17(28)7-10-23(16)37-15-30-35-36-37/h6-15,20H,2-5H2,1H3,(H,29,34)(H,31,40)(H,32,39)(H,33,38)/b11-6+/t20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

PDB
US Patent
<5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor XI


(Homo sapiens (Human))
BDBM142860
PNG
(US8940720, 11 | US9802939, 11)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCCNc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C27H28ClN9O3/c1-40-27(39)32-19-8-9-20-22(14-19)29-12-4-2-3-5-21(26-30-15-23(20)34-26)33-25(38)11-6-17-13-18(28)7-10-24(17)37-16-31-35-36-37/h6-11,13-16,21,29H,2-5,12H2,1H3,(H,30,34)(H,32,39)(H,33,38)/b11-6+/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
6n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352296
PNG
(US9802939, I-57)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)C(C\C=C\C(C)C(=O)Nc2c1)NC(=O)c1c(F)cc2n(C)ncc2c1F
Show InChI InChI=1S/C27H25F2N7O4/c1-13-5-4-6-18(34-26(38)22-17(28)10-21-16(23(22)29)11-31-36(21)2)24-30-12-20(33-24)15-8-7-14(32-27(39)40-3)9-19(15)35-25(13)37/h4-5,7-13,18H,6H2,1-3H3,(H,30,33)(H,32,39)(H,34,38)(H,35,37)/b5-4+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
6.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352331
PNG
(US9802939, I-268)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3C#N)[C@H](CCCCCNc2c1)NC(=O)\C=C\c1cc(C)ccc1N1CNN=N1
Show InChI InChI=1S/C29H32N10O3/c1-18-7-11-25(39-17-32-37-38-39)19(14-18)8-12-26(40)34-22-6-4-3-5-13-31-23-15-20(33-29(41)42-2)9-10-21(23)27-24(16-30)35-28(22)36-27/h7-12,14-15,22,31H,3-6,13,17H2,1-2H3,(H,32,38)(H,33,41)(H,34,40)(H,35,36)/b12-8+/t22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
9n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352336
PNG
(US9802939, I-309)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](C\C=C\CC(=O)Nc2c1)NC(=O)\C=C\c1cccc(Cl)c1
Show InChI InChI=1S/C26H23Cl2N5O4/c1-37-26(36)29-17-10-11-18-20(14-17)31-21(34)8-3-2-7-19(25-32-23(18)24(28)33-25)30-22(35)12-9-15-5-4-6-16(27)13-15/h2-6,9-14,19H,7-8H2,1H3,(H,29,36)(H,30,35)(H,31,34)(H,32,33)/b3-2+,12-9+/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
9n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352335
PNG
(US9802939, I-299)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3C(=O)N(C)C)[C@H](CCCCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C30H31ClN10O5/c1-40(2)29(44)27-26-20-11-10-19(33-30(45)46-3)15-22(20)35-24(42)7-5-4-6-21(28(36-26)37-27)34-25(43)13-8-17-14-18(31)9-12-23(17)41-16-32-38-39-41/h8-16,21H,4-7H2,1-3H3,(H,33,45)(H,34,43)(H,35,42)(H,36,37)/b13-8+/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
19n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142870
PNG
(US8940720, 138 | US9802939, 138)
Show SMILES Clc1ccc(c(\C=C\C(=O)N[C@H]2CCCCC(=O)Nc3cnccc3-c3ccnc2c3)c1)-n1cnnn1
Show InChI InChI=1S/C26H23ClN8O2/c27-19-6-7-24(35-16-30-33-34-35)18(13-19)5-8-26(37)31-21-3-1-2-4-25(36)32-23-15-28-11-10-20(23)17-9-12-29-22(21)14-17/h5-16,21H,1-4H2,(H,31,37)(H,32,36)/b8-5+/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142894
PNG
(US8940720, II-58 | US9802939, II-58)
Show SMILES COC(=O)Nc1ccc-2c(N[C@H](CCCC[C@H](NC(=O)\C=C\c3cc(Cl)ccc3-n3cnnn3)c3cncc-2c3)C(=O)NCc2ccccn2)c1
Show InChI InChI=1S/C36H35ClN10O4/c1-51-36(50)42-27-11-12-29-24-16-25(20-38-19-24)30(44-34(48)14-9-23-17-26(37)10-13-33(23)47-22-41-45-46-47)7-2-3-8-31(43-32(29)18-27)35(49)40-21-28-6-4-5-15-39-28/h4-6,9-20,22,30-31,43H,2-3,7-8,21H2,1H3,(H,40,49)(H,42,50)(H,44,48)/b14-9+/t30-,31+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
21n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352321
PNG
(US9802939, I-152)
Show SMILES CC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C/CCC(=O)Nc2c1)NC(=O)c1ccc2[C@H](N)CCCc2c1
Show InChI InChI=1S/C29H32N6O3/c1-17(36)32-20-11-13-22-25(15-20)33-27(37)9-4-2-3-8-24(28-31-16-26(22)34-28)35-29(38)19-10-12-21-18(14-19)6-5-7-23(21)30/h2-3,10-16,23-24H,4-9,30H2,1H3,(H,31,34)(H,32,36)(H,33,37)(H,35,38)/b3-2+/t23-,24+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
21n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142892
PNG
(US8940720, II-10 | US9802939, II-10)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)CCCCC(NC(=O)\C=C\c3cc(Cl)ccc3-n3cnnn3)c3cc-2nc(C)n3)c1
Show InChI InChI=1S/C29H28ClN9O4/c1-17-32-24-15-25(33-17)22(35-28(41)12-7-18-13-19(30)8-11-26(18)39-16-31-37-38-39)5-3-4-6-27(40)36-23-14-20(9-10-21(23)24)34-29(42)43-2/h7-16,22H,3-6H2,1-2H3,(H,34,42)(H,35,41)(H,36,40)/b12-7+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
23n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352308
PNG
(US9802939, I-106 | {(S)-14-[(E)-3-(5-Chloro-2-tetr...)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCC\C=C\C(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C28H26ClN9O4/c1-42-28(41)32-19-9-10-20-22(14-19)34-25(39)6-4-2-3-5-21(27-30-15-23(20)35-27)33-26(40)12-7-17-13-18(29)8-11-24(17)38-16-31-36-37-38/h4,6-16,21H,2-3,5H2,1H3,(H,30,35)(H,32,41)(H,33,40)(H,34,39)/b6-4+,12-7+/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
24n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352283
PNG
((E)-3-(5-Chloro-2-tetrazol-1-yl-phenyl)-N—((S...)
Show SMILES Clc1ccc(c(\C=C\C(=O)N[C@H]2CC=CCCC(=O)Nc3ccccc3-c3nnc2o3)c1)-n1cnnn1
Show InChI InChI=1S/C25H21ClN8O3/c26-17-11-12-21(34-15-27-32-33-34)16(14-17)10-13-23(36)29-20-8-2-1-3-9-22(35)28-19-7-5-4-6-18(19)24-30-31-25(20)37-24/h1-2,4-7,10-15,20H,3,8-9H2,(H,28,35)(H,29,36)/b2-1?,13-10+/t20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
25n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142875
PNG
(US8940720, I-107 | US9802939, I-107)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3F)[C@H](CCCC\C=N\c2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C27H25ClFN9O3/c1-41-27(40)32-18-8-9-19-21(14-18)30-12-4-2-3-5-20(26-34-24(19)25(29)35-26)33-23(39)11-6-16-13-17(28)7-10-22(16)38-15-31-36-37-38/h6-15,20H,2-5H2,1H3,(H,32,40)(H,33,39)(H,34,35)/b11-6+,30-12+/t20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
29n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142858
PNG
(US8940720, 6 | US9802939, 6)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCCCc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C28H29ClN8O3/c1-40-28(39)32-21-10-11-22-18(15-21)6-4-2-3-5-7-23(27-30-16-24(22)34-27)33-26(38)13-8-19-14-20(29)9-12-25(19)37-17-31-35-36-37/h8-17,23H,2-7H2,1H3,(H,30,34)(H,32,39)(H,33,38)/b13-8+/t23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
34n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142861
PNG
(US8940720, 19 | US9802939, 19)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C/CS(=O)(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C26H24ClN9O5S/c1-41-26(38)30-18-7-8-19-21(13-18)33-42(39,40)11-3-2-4-20(25-28-14-22(19)32-25)31-24(37)10-5-16-12-17(27)6-9-23(16)36-15-29-34-35-36/h2-3,5-10,12-15,20,33H,4,11H2,1H3,(H,28,32)(H,30,38)(H,31,37)/b3-2+,10-5+/t20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
96n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352334
PNG
(US9802939, I-284)
Show SMILES CC(=O)c1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C27H25ClN8O3/c1-16(37)17-6-9-20-22(13-17)32-25(38)5-3-2-4-21(27-29-14-23(20)33-27)31-26(39)11-7-18-12-19(28)8-10-24(18)36-15-30-34-35-36/h6-15,21H,2-5H2,1H3,(H,29,33)(H,31,39)(H,32,38)/b11-7+/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
102n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142891
PNG
(US8940720, II-4 | US9802939, II-4)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)CCCC[C@H](NC(=O)c3c(F)cc(C)cc3F)c3cc-2ccn3)c1
Show InChI InChI=1S/C27H26F2N4O4/c1-15-11-19(28)25(20(29)12-15)26(35)33-21-5-3-4-6-24(34)32-22-14-17(31-27(36)37-2)7-8-18(22)16-9-10-30-23(21)13-16/h7-14,21H,3-6H2,1-2H3,(H,31,36)(H,32,34)(H,33,35)/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
111n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352330
PNG
(US9802939, I-265)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3C#N)[C@H](CCCNC(=O)Nc2c1)NC(=O)\C=C\c1c(F)c(Cl)ccc1C(C)=O
Show InChI InChI=1S/C28H25ClFN7O5/c1-14(38)16-7-9-19(29)24(30)17(16)8-10-23(39)34-20-4-3-11-32-27(40)36-21-12-15(33-28(41)42-2)5-6-18(21)25-22(13-31)35-26(20)37-25/h5-10,12,20H,3-4,11H2,1-2H3,(H,33,41)(H,34,39)(H,35,37)(H2,32,36,40)/b10-8+/t20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
133n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142871
PNG
(US8940720, 167 | US9802939, 167)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)C\C=C\CC(NC(=O)\C=C\c3cc(Cl)ccc3-n3cnnn3)c3cc-2nc(C)n3)c1
Show InChI InChI=1S/C29H26ClN9O4/c1-17-32-24-15-25(33-17)22(35-28(41)12-7-18-13-19(30)8-11-26(18)39-16-31-37-38-39)5-3-4-6-27(40)36-23-14-20(9-10-21(23)24)34-29(42)43-2/h3-4,7-16,22H,5-6H2,1-2H3,(H,34,42)(H,35,41)(H,36,40)/b4-3+,12-7+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
157n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352317
PNG
(US9802939, I-136)
Show SMILES Clc1ccc(c(\C=C\C(=O)N[C@H]2CCCCCNc3cc4[nH]ncc4cc3-c3c[nH]c2n3)c1)-n1cnnn1
Show InChI InChI=1S/C26H23ClN10O/c27-18-6-7-24(37-15-31-35-36-37)16(10-18)5-8-25(38)32-20-4-2-1-3-9-28-22-12-21-17(13-30-34-21)11-19(22)23-14-29-26(20)33-23/h5-8,10-15,20,28H,1-4,9H2,(H,32,38)/b8-5+,23-19-/t20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
183n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142869
PNG
(US8940720, 137 | US9802939, 137)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CC(O)C(O)CC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C27H26ClN9O6/c1-43-27(42)31-16-4-5-17-18(9-16)32-25(41)11-23(39)22(38)10-19(26-29-12-20(17)34-26)33-24(40)7-2-14-8-15(28)3-6-21(14)37-13-30-35-36-37/h2-9,12-13,19,22-23,38-39H,10-11H2,1H3,(H,29,34)(H,31,42)(H,32,41)(H,33,40)/b7-2+/t19-,22?,23?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
192n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352299
PNG
((9 S,14S)-14-[(E)-3-(5-Chloro-2-tetrazol-1-yl-phen...)
Show SMILES CCOC(=O)[C@@H]1CCCC[C@H](NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c2nc(c[nH]2)-c2ccc(NC(=O)OC)cc2N1
Show InChI InChI=1S/C30H32ClN9O5/c1-3-45-29(42)23-7-5-4-6-22(36-27(41)13-8-18-14-19(31)9-12-26(18)40-17-33-38-39-40)28-32-16-25(37-28)21-11-10-20(15-24(21)35-23)34-30(43)44-2/h8-17,22-23,35H,3-7H2,1-2H3,(H,32,37)(H,34,43)(H,36,41)/b13-8+/t22-,23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
203n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352291
PNG
(US9802939, I-10)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)C(C\C=C\CC(=O)Nc2c1)NC(=O)c1cn(nn1)-c1cccc(Cl)c1
Show InChI InChI=1S/C26H23ClN8O4/c1-39-26(38)29-16-9-10-18-20(12-16)30-23(36)8-3-2-7-19(24-28-13-21(18)31-24)32-25(37)22-14-35(34-33-22)17-6-4-5-15(27)11-17/h2-6,9-14,19H,7-8H2,1H3,(H,28,31)(H,29,38)(H,30,36)(H,32,37)/b3-2+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
217n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142859
PNG
(US8940720, 9 | US9802939, 9)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](CCCCCOc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C27H26Cl2N8O4/c1-40-27(39)31-18-8-9-19-22(14-18)41-12-4-2-3-5-20(26-33-24(19)25(29)34-26)32-23(38)11-6-16-13-17(28)7-10-21(16)37-15-30-35-36-37/h6-11,13-15,20H,2-5,12H2,1H3,(H,31,39)(H,32,38)(H,33,34)/b11-6+/t20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
249n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352300
PNG
(US9802939, I-70)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3C)C(C\C=C\[C@@H](C(=O)Nc2c1)C(F)(F)F)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C29H25ClF3N9O4/c1-15-25-19-9-8-18(36-28(45)46-2)13-22(19)38-27(44)20(29(31,32)33)4-3-5-21(26(35-15)39-25)37-24(43)11-6-16-12-17(30)7-10-23(16)42-14-34-40-41-42/h3-4,6-14,20-21H,5H2,1-2H3,(H,35,39)(H,36,45)(H,37,43)(H,38,44)/b4-3+,11-6+/t20-,21?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
270n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352301
PNG
(US9802939, I-72)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)C(C\C=C\[C@H](C(F)F)C(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C28H24ClF2N9O4/c1-44-28(43)34-17-7-8-18-21(12-17)37-27(42)19(25(30)31)3-2-4-20(26-32-13-22(18)36-26)35-24(41)10-5-15-11-16(29)6-9-23(15)40-14-33-38-39-40/h2-3,5-14,19-20,25H,4H2,1H3,(H,32,36)(H,34,43)(H,35,41)(H,37,42)/b3-2+,10-5+/t19-,20?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
289n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352311
PNG
(US9802939, I-114)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCC(C)C(C(N)=O)C(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C30H31ClN10O5/c1-16-4-3-5-21(36-25(42)11-6-17-12-18(31)7-10-24(17)41-15-34-39-40-41)28-33-14-23(37-28)20-9-8-19(35-30(45)46-2)13-22(20)38-29(44)26(16)27(32)43/h6-16,21,26H,3-5H2,1-2H3,(H2,32,43)(H,33,37)(H,35,45)(H,36,42)(H,38,44)/b11-6+/t16?,21-,26?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
296n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352292
PNG
(US9802939, I-13)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)C(C\C=C\CC(=O)Nc2c1)NC(=O)c1ccc2NCCCc2c1
Show InChI InChI=1S/C27H28N6O4/c1-37-27(36)30-18-9-10-19-22(14-18)31-24(34)7-3-2-6-21(25-29-15-23(19)32-25)33-26(35)17-8-11-20-16(13-17)5-4-12-28-20/h2-3,8-11,13-15,21,28H,4-7,12H2,1H3,(H,29,32)(H,30,36)(H,31,34)(H,33,35)/b3-2+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
311n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352294
PNG
(US9802939, I-17)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)C(C\C=C\CC(=O)Nc2c1)NC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C28H25N5O4/c1-37-28(36)30-18-13-14-21-23(15-18)31-25(34)12-5-4-11-22(26-29-16-24(21)32-26)33-27(35)20-10-6-8-17-7-2-3-9-19(17)20/h2-10,13-16,22H,11-12H2,1H3,(H,29,32)(H,30,36)(H,31,34)(H,33,35)/b5-4+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
351n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352307
PNG
(US9802939, I-104)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCC(CNc2c1)(C(C)=O)C(F)(F)F)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C30H29ClF3N9O4/c1-17(44)29(30(32,33)34)11-3-4-22(39-26(45)10-5-18-12-19(31)6-9-25(18)43-16-37-41-42-43)27-35-14-24(40-27)21-8-7-20(38-28(46)47-2)13-23(21)36-15-29/h5-10,12-14,16,22,36H,3-4,11,15H2,1-2H3,(H,35,40)(H,38,46)(H,39,45)/b10-5+/t22-,29?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
435n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352326
PNG
(US9802939, I-242)
Show SMILES CCOC(=O)[C@H]1CCCC[C@H](NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c2nc(c(C)[nH]2)-c2ccc(NC(=O)OC)cc2N1
Show InChI InChI=1S/C31H34ClN9O5/c1-4-46-30(43)24-8-6-5-7-23(37-27(42)14-9-19-15-20(32)10-13-26(19)41-17-33-39-40-41)29-34-18(2)28(38-29)22-12-11-21(16-25(22)36-24)35-31(44)45-3/h9-17,23-24,36H,4-8H2,1-3H3,(H,34,38)(H,35,44)(H,37,42)/b14-9+/t23-,24+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
456n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352343
PNG
(US9802939, II-18)
Show SMILES CO[C@@H](O)C1CCCC[C@H](NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c2cc(ccn2)-c2ccc(NC(=O)OC)cc2N1
Show InChI InChI=1S/C31H33ClN8O5/c1-44-30(42)25-6-4-3-5-24(37-29(41)12-7-20-15-21(32)8-11-28(20)40-18-34-38-39-40)27-16-19(13-14-33-27)23-10-9-22(17-26(23)36-25)35-31(43)45-2/h7-18,24-25,30,36,42H,3-6H2,1-2H3,(H,35,43)(H,37,41)/b12-7+/t24-,25?,30+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
KEGG
PC cid
PC sid
UniChem
US Patent
572n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352304
PNG
(US9802939, I-84)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCC[C@@H]([C@H](CO)Nc2c1)C(O)=O)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C29H30ClN9O6/c1-45-29(44)33-18-7-8-19-22(12-18)34-24(14-40)20(28(42)43)3-2-4-21(27-31-13-23(19)36-27)35-26(41)10-5-16-11-17(30)6-9-25(16)39-15-32-37-38-39/h5-13,15,20-21,24,34,40H,2-4,14H2,1H3,(H,31,36)(H,33,44)(H,35,41)(H,42,43)/b10-5+/t20-,21-,24-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
580n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352298
PNG
(US9802939, I-60)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)C(C\C=C\[C@@H](C(=O)Nc2c1)C(F)(F)F)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C28H23ClF3N9O4/c1-45-27(44)35-17-7-8-18-21(12-17)38-26(43)19(28(30,31)32)3-2-4-20(25-33-13-22(18)37-25)36-24(42)10-5-15-11-16(29)6-9-23(15)41-14-34-39-40-41/h2-3,5-14,19-20H,4H2,1H3,(H,33,37)(H,35,44)(H,36,42)(H,38,43)/b3-2+,10-5+/t19-,20?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
616n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142857
PNG
(US8940720, 4 | US9802939, 4)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCCc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C28H27ClN8O3/c1-40-28(39)32-21-10-11-22-18(15-21)6-4-2-3-5-7-23(27-30-16-24(22)34-27)33-26(38)13-8-19-14-20(29)9-12-25(19)37-17-31-35-36-37/h3,5,8-17,23H,2,4,6-7H2,1H3,(H,30,34)(H,32,39)(H,33,38)/b5-3+,13-8+/t23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
636n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352329
PNG
(US9802939, I-262)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3C)[C@H](CCCC(c3ccc4ncccc4c3)C(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C37H33ClN10O4/c1-21-34-28-12-11-26(42-37(51)52-2)19-31(28)44-36(50)27(22-8-13-29-23(17-22)5-4-16-39-29)6-3-7-30(35(41-21)45-34)43-33(49)15-9-24-18-25(38)10-14-32(24)48-20-40-46-47-48/h4-5,8-20,27,30H,3,6-7H2,1-2H3,(H,41,45)(H,42,51)(H,43,49)(H,44,50)/b15-9+/t27?,30-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
675n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352314
PNG
(US9802939, I-121)
Show SMILES CCC(=O)N1CCCC[C@H](NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c2nc(c[nH]2)-c2ccc(NC(=O)OC)cc2NC1=O
Show InChI InChI=1S/C30H31ClN10O5/c1-3-27(43)40-13-5-4-6-22(35-26(42)12-7-18-14-19(31)8-11-25(18)41-17-33-38-39-41)28-32-16-24(36-28)21-10-9-20(34-30(45)46-2)15-23(21)37-29(40)44/h7-12,14-17,22H,3-6,13H2,1-2H3,(H,32,36)(H,34,45)(H,35,42)(H,37,44)/b12-7+/t22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
736n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352345
PNG
(US9802939, II-43)
Show SMILES CCC(=O)[C@H]1CCCC[C@H](NC(=O)\C=C\c2c(F)c(Cl)ccc2-n2cnnn2)c2cc(ccn2)-c2ccc(NC(=O)OCCOC)cc2N1
Show InChI InChI=1S/C34H36ClFN8O5/c1-3-31(45)27-7-5-4-6-26(41-32(46)13-10-24-30(44-20-38-42-43-44)12-11-25(35)33(24)36)29-18-21(14-15-37-29)23-9-8-22(19-28(23)40-27)39-34(47)49-17-16-48-2/h8-15,18-20,26-27,40H,3-7,16-17H2,1-2H3,(H,39,47)(H,41,46)/b13-10+/t26-,27+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
938n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352328
PNG
(US9802939, I-258)
Show SMILES CNC(=O)[C@H]1CCCC[C@H](NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c2nc(c(C)[nH]2)-c2ccc(NC(=O)OC)cc2N1
Show InChI InChI=1S/C30H33ClN10O4/c1-17-27-21-11-10-20(35-30(44)45-3)15-24(21)36-23(29(43)32-2)7-5-4-6-22(28(34-17)38-27)37-26(42)13-8-18-14-19(31)9-12-25(18)41-16-33-39-40-41/h8-16,22-23,36H,4-7H2,1-3H3,(H,32,43)(H,34,38)(H,35,44)(H,37,42)/b13-8+/t22-,23+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
947n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142868
PNG
(US8940720, 136 | US9802939, 136)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](C\C=C\CCC(=O)Nc2c1)NC(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H23ClN6O4/c1-37-26(36)29-17-11-12-18-20(13-17)30-21(34)6-4-2-3-5-19(24-32-22(18)23(27)33-24)31-25(35)16-9-7-15(14-28)8-10-16/h2-3,7-13,19H,4-6H2,1H3,(H,29,36)(H,30,34)(H,31,35)(H,32,33)/b3-2-/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
962n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142863
PNG
(US8940720, 89 | US9802939, 89)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)CC\C=C\CC(NC(=O)\C=C\c3cc(Cl)ccc3-n3cnnn3)c3cc(Cl)nnc-23)c1
Show InChI InChI=1S/C29H25Cl2N9O4/c1-44-29(43)33-19-9-10-20-23(14-19)35-26(41)6-4-2-3-5-22(21-15-25(31)36-37-28(20)21)34-27(42)12-7-17-13-18(30)8-11-24(17)40-16-32-38-39-40/h2-3,7-16,22H,4-6H2,1H3,(H,33,43)(H,34,42)(H,35,41)/b3-2+,12-7+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.06E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352306
PNG
(US9802939, I-99)
Show SMILES CCCn1ccc(n1)[C@@H]1CCC[C@H](NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c2nc(c[nH]2)-c2ccc(NC(=O)OC)cc2N[C@H]1CO
Show InChI InChI=1S/C34H38ClN11O4/c1-3-14-45-15-13-26(42-45)24-5-4-6-27(40-32(48)12-7-21-16-22(35)8-11-31(21)46-20-37-43-44-46)33-36-18-29(41-33)25-10-9-23(38-34(49)50-2)17-28(25)39-30(24)19-47/h7-13,15-18,20,24,27,30,39,47H,3-6,14,19H2,1-2H3,(H,36,41)(H,38,49)(H,40,48)/b12-7+/t24-,27-,30-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.32E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352322
PNG
(US9802939, I-153)
Show SMILES CC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C/CCC(=O)Nc2c1)NC(=O)c1ccc2[C@@H](N)CCCc2c1
Show InChI InChI=1S/C29H32N6O3/c1-17(36)32-20-11-13-22-25(15-20)33-27(37)9-4-2-3-8-24(28-31-16-26(22)34-28)35-29(38)19-10-12-21-18(14-19)6-5-7-23(21)30/h2-3,10-16,23-24H,4-9,30H2,1H3,(H,31,34)(H,32,36)(H,33,37)(H,35,38)/b3-2+/t23-,24-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.65E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142884
PNG
(US8940720, I-270 | US9802939, I-270)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(F)(F)C(=O)c2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C28H25ClF2N8O4/c1-43-27(42)34-18-7-8-19-20(13-18)25(41)28(30,31)11-3-2-4-21(26-32-14-22(19)36-26)35-24(40)10-5-16-12-17(29)6-9-23(16)39-15-33-37-38-39/h5-10,12-15,21H,2-4,11H2,1H3,(H,32,36)(H,34,42)(H,35,40)/b10-5+/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
1.75E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352290
PNG
(US9802939, I-9)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)C(C\C=C\CC(=O)Nc2c1)NC(=O)c1cc(no1)-c1cccc(Cl)c1
Show InChI InChI=1S/C27H23ClN6O5/c1-38-27(37)30-17-9-10-18-21(12-17)31-24(35)8-3-2-7-19(25-29-14-22(18)32-25)33-26(36)23-13-20(34-39-23)15-5-4-6-16(28)11-15/h2-6,9-14,19H,7-8H2,1H3,(H,29,32)(H,30,37)(H,31,35)(H,33,36)/b3-2+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.87E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352324
PNG
(US9802939, I-211)
Show SMILES CC1C\C=C\C[C@H](NC(=O)\C=C/c2cc(Cl)ccc2-n2cnnn2)c2nc(c[nH]2)-c2ccc(NC(C)=O)cc2N1
Show InChI InChI=1S/C28H28ClN9O2/c1-17-5-3-4-6-23(28-30-15-25(35-28)22-10-9-21(33-18(2)39)14-24(22)32-17)34-27(40)12-7-19-13-20(29)8-11-26(19)38-16-31-36-37-38/h3-4,7-17,23,32H,5-6H2,1-2H3,(H,30,35)(H,33,39)(H,34,40)/b4-3+,12-7-/t17?,23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
2.17E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352293
PNG
(US9802939, I-14)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)C(C\C=C\CC(=O)Nc2c1)NC(=O)c1ccc2ncccc2c1
Show InChI InChI=1S/C27H24N6O4/c1-37-27(36)30-18-9-10-19-22(14-18)31-24(34)7-3-2-6-21(25-29-15-23(19)32-25)33-26(35)17-8-11-20-16(13-17)5-4-12-28-20/h2-5,8-15,21H,6-7H2,1H3,(H,29,32)(H,30,36)(H,31,34)(H,33,35)/b3-2+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
2.92E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352319
PNG
(US9802939, I-137)
Show SMILES COC(=O)Nc1cc2NC(=O)[C@@H](C)CCC[C@H](NC(=O)c3c(F)cc4n(C)cnc4c3F)c3nc(c(Cl)[nH]3)-c2cc1Cl
Show InChI InChI=1S/C27H25Cl2F2N7O4/c1-11-5-4-6-15(33-26(40)19-14(30)8-18-22(20(19)31)32-10-38(18)2)24-36-21(23(29)37-24)12-7-13(28)17(35-27(41)42-3)9-16(12)34-25(11)39/h7-11,15H,4-6H2,1-3H3,(H,33,40)(H,34,39)(H,35,41)(H,36,37)/t11-,15-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
2.98E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352269
PNG
((E)-3-(5-Chloro-2-tetrazol-1-yl-phenyl)-N-(E)-(S)-...)
Show SMILES Clc1ccc(c(\C=C\C(=O)N[C@H]2C\C=C\CCOc3ccccc3-c3c[nH]c2n3)c1)-n1cnnn1
Show InChI InChI=1S/C25H22ClN7O2/c26-18-10-11-22(33-16-28-31-32-33)17(14-18)9-12-24(34)29-20-7-2-1-5-13-35-23-8-4-3-6-19(23)21-15-27-25(20)30-21/h1-4,6,8-12,14-16,20H,5,7,13H2,(H,27,30)(H,29,34)/b2-1+,12-9+/t20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
2.98E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352305
PNG
(US9802939, I-94)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCC[C@H]([C@H](CO)Nc2c1)c1nn(C)cc1Cl)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C32H33Cl2N11O4/c1-44-15-23(34)30(41-44)22-4-3-5-24(39-29(47)11-6-18-12-19(33)7-10-28(18)45-17-36-42-43-45)31-35-14-26(40-31)21-9-8-20(37-32(48)49-2)13-25(21)38-27(22)16-46/h6-15,17,22,24,27,38,46H,3-5,16H2,1-2H3,(H,35,40)(H,37,48)(H,39,47)/b11-6+/t22-,24+,27+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
3.85E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352310
PNG
(US9802939, I-108)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCN(C(C)=O)C(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C29H29ClN10O5/c1-17(41)39-12-4-3-5-22(34-26(42)11-6-18-13-19(30)7-10-25(18)40-16-32-37-38-40)27-31-15-24(35-27)21-9-8-20(33-29(44)45-2)14-23(21)36-28(39)43/h6-11,13-16,22H,3-5,12H2,1-2H3,(H,31,35)(H,33,44)(H,34,42)(H,36,43)/b11-6+/t22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
3.87E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142928
PNG
(US8940720, II-15 | US9802939, II-15)
Show SMILES COC(=O)Nc1ccc-2c(NC(CCCC[C@H](NC(=O)c3ccc(cc3)C(N)=N)c3cc-2ccn3)C(F)(F)F)c1
Show InChI InChI=1S/C28H29F3N6O3/c1-40-27(39)35-19-10-11-20-18-12-13-34-23(14-18)21(37-26(38)17-8-6-16(7-9-17)25(32)33)4-2-3-5-24(28(29,30)31)36-22(20)15-19/h6-15,21,24,36H,2-5H2,1H3,(H3,32,33)(H,35,39)(H,37,38)/t21-,24?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
4.16E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM142862
PNG
(US8940720, 21 | US9802939, 21)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CNC(=O)C(F)(F)CNc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C26H23ClF2N10O4/c1-43-25(42)34-16-4-5-17-18(9-16)32-12-26(28,29)24(41)31-11-20(23-30-10-19(17)36-23)35-22(40)7-2-14-8-15(27)3-6-21(14)39-13-33-37-38-39/h2-10,13,20,32H,11-12H2,1H3,(H,30,36)(H,31,41)(H,34,42)(H,35,40)/b7-2+/t20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
4.52E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352323
PNG
(US9802939, I-183)
Show SMILES CN(C)CCOC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](C\C=C\CCC(=O)Nc2c1)NC(=O)c1c(F)cc(C)cc1F
Show InChI InChI=1S/C29H31ClF2N6O4/c1-16-13-19(31)24(20(32)14-16)28(40)35-21-7-5-4-6-8-23(39)34-22-15-17(33-29(41)42-12-11-38(2)3)9-10-18(22)25-26(30)37-27(21)36-25/h4-5,9-10,13-15,21H,6-8,11-12H2,1-3H3,(H,33,41)(H,34,39)(H,35,40)(H,36,37)/b5-4-/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
4.95E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM352270
PNG
(2 TFA Salt | US9802939, 3)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N[C@H]1C\C=C/CCCCc2ccccc2-c2c[nH]c1n2
Show InChI InChI=1S/C25H34N4O/c26-16-18-12-14-20(15-13-18)25(30)29-22-11-5-3-1-2-4-8-19-9-6-7-10-21(19)23-17-27-24(22)28-23/h3,5-7,9-10,17-18,20,22H,1-2,4,8,11-16,26H2,(H,27,28)(H,29,30)/b5-3+/t18-,20-,22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
6.17E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9802939 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%