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Compile Data Set for Download or QSAR

Found 645 hits of ki for UniProtKB: P08709   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor VII


(Homo sapiens (Human))
BDBM189451
PNG
(US9174974, Example 39)
Show SMILES C[C@H]1COC(=O)Nc2cc(F)c(O[C@H]3CCOC3)c(CN(C)C(=O)C(Nc3ccc4c(N)nccc4c3)c3ccc1c(C)c3)c2 |r|
Show InChI InChI=1/C34H36FN5O5/c1-19-12-22-4-6-27(19)20(2)17-44-34(42)39-25-14-23(31(29(35)15-25)45-26-9-11-43-18-26)16-40(3)33(41)30(22)38-24-5-7-28-21(13-24)8-10-37-32(28)36/h4-8,10,12-15,20,26,30,38H,9,11,16-18H2,1-3H3,(H2,36,37)(H,39,42)/t20-,26-,30?/s2
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0.0200n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
FVIIa-Xase Ki (37 C.): S2765 (0.5 mM), PCPS (25 μM), calcium chloride (5 mM), full-length human TF (3 nM), human FVIIa (5 pM), and FVIIa inhibi...


US Patent US9174974 (2015)

More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM189454
PNG
(US9174974, Example 38)
Show SMILES C[C@H]1COC(=O)Nc2cc(F)c(O[C@@H]3CCOC3)c(CN(C)C(=O)[C@H](Nc3ccc4c(N)nccc4c3)c3ccc1c(C)c3)c2 |r|
Show InChI InChI=1/C34H36FN5O5/c1-19-12-22-4-6-27(19)20(2)17-44-34(42)39-25-14-23(31(29(35)15-25)45-26-9-11-43-18-26)16-40(3)33(41)30(22)38-24-5-7-28-21(13-24)8-10-37-32(28)36/h4-8,10,12-15,20,26,30,38H,9,11,16-18H2,1-3H3,(H2,36,37)(H,39,42)/t20-,26+,30+/s2
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0.0500n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
FVIIa-Xase Ki (37 C.): S2765 (0.5 mM), PCPS (25 μM), calcium chloride (5 mM), full-length human TF (3 nM), human FVIIa (5 pM), and FVIIa inhibi...


US Patent US9174974 (2015)

More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50192770
PNG
(CHEMBL3956096)
Show SMILES C[C@H]1COC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc1c(C)c3)c2)C1(CCCCC1)C(O)=O |r|
Show InChI InChI=1/C37H40FN5O5/c1-21-15-23-7-10-27(21)22(2)20-48-36(47)42-25-9-12-30(37(35(45)46)13-5-4-6-14-37)24(16-25)19-43(3)34(44)32(23)41-26-8-11-28-29(17-26)31(38)18-40-33(28)39/h7-12,15-18,22,32,41H,4-6,13-14,19-20H2,1-3H3,(H2,39,40)(H,42,47)(H,45,46)/t22-,32+/s2
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0.0600n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TF-factor 7a using factor 10 as substrate at 37 degC


Bioorg Med Chem Lett 26: 5051-5057 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.088
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50103651
PNG
(2-(3'-Amino-5-chloro-2-hydroxy-biphenyl-3-yl)-1H-b...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(Cl)cc(-c2cccc(N)c2)c1O
Show InChI InChI=1S/C20H16ClN5O/c21-12-8-14(10-2-1-3-13(22)6-10)18(27)15(9-12)20-25-16-5-4-11(19(23)24)7-17(16)26-20/h1-9,27H,22H2,(H3,23,24)(H,25,26)
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0.0780n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for factor VIIa/TF


Bioorg Med Chem Lett 11: 2253-6 (2001)

More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM189450
PNG
(US9174974, Example 36)
Show SMILES C[C@H]1COC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)nccc4c3)c3ccc1c(C)c3)c2)C1(CC1)c1nnn[nH]1 |r|
Show InChI InChI=1/C34H35N9O3/c1-19-14-22-4-7-26(19)20(2)18-46-33(45)38-25-6-9-28(34(11-12-34)32-39-41-42-40-32)23(16-25)17-43(3)31(44)29(22)37-24-5-8-27-21(15-24)10-13-36-30(27)35/h4-10,13-16,20,29,37H,11-12,17-18H2,1-3H3,(H2,35,36)(H,38,45)(H,39,40,41,42)/t20-,29+/s2
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0.120n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
FVIIa-Xase Ki (37 C.): S2765 (0.5 mM), PCPS (25 μM), calcium chloride (5 mM), full-length human TF (3 nM), human FVIIa (5 pM), and FVIIa inhibi...


US Patent US9174974 (2015)

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


(Homo sapiens (Human))
BDBM189453
PNG
(US9174974, Example 37)
Show SMILES COC[C@H](C)Oc1c(F)cc2NC(=O)OC[C@H](C)c3ccc(cc3C)[C@@H](Nc3ccc4c(N)nccc4c3)C(=O)N(C)Cc1c2 |r|
Show InChI InChI=1/C34H38FN5O5/c1-19-12-23-6-8-27(19)20(2)17-44-34(42)39-26-14-24(31(29(35)15-26)45-21(3)18-43-5)16-40(4)33(41)30(23)38-25-7-9-28-22(13-25)10-11-37-32(28)36/h6-15,20-21,30,38H,16-18H2,1-5H3,(H2,36,37)(H,39,42)/t20-,21-,30+/s2
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0.140n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
FVIIa-Xase Ki (37 C.): S2765 (0.5 mM), PCPS (25 μM), calcium chloride (5 mM), full-length human TF (3 nM), human FVIIa (5 pM), and FVIIa inhibi...


US Patent US9174974 (2015)

More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM189447
PNG
(US9174974, Example 33)
Show SMILES C[C@@H](CO)Oc1c(F)cc2NC(=O)OC[C@H](C)c3ccc(cc3C)[C@@H](Nc3ccc4c(N)nccc4c3)C(=O)N(C)Cc1c2 |r|
Show InChI InChI=1/C33H36FN5O5/c1-18-11-22-5-7-26(18)19(2)17-43-33(42)38-25-13-23(30(28(34)14-25)44-20(3)16-40)15-39(4)32(41)29(22)37-24-6-8-27-21(12-24)9-10-36-31(27)35/h5-14,19-20,29,37,40H,15-17H2,1-4H3,(H2,35,36)(H,38,42)/t19-,20-,29+/s2
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0.140n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
FVIIa-Xase Ki (37 C.): S2765 (0.5 mM), PCPS (25 μM), calcium chloride (5 mM), full-length human TF (3 nM), human FVIIa (5 pM), and FVIIa inhibi...


US Patent US9174974 (2015)

More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM189448
PNG
(US9174974, Example 34)
Show SMILES CC(C)S(=O)(=O)c1c(F)cc2NC(=O)OC[C@H](C)c3ccc(cc3C)[C@@H](Nc3cc4ccnc(N)c4cc3F)C(=O)N(C)Cc1c2 |r|
Show InChI InChI=1/C33H35F2N5O5S/c1-17(2)46(43,44)30-22-11-23(13-27(30)35)38-33(42)45-16-19(4)24-7-6-21(10-18(24)3)29(32(41)40(5)15-22)39-28-12-20-8-9-37-31(36)25(20)14-26(28)34/h6-14,17,19,29,39H,15-16H2,1-5H3,(H2,36,37)(H,38,42)/t19-,29+/s2
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0.140n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
FVIIa-Xase Ki (37 C.): S2765 (0.5 mM), PCPS (25 μM), calcium chloride (5 mM), full-length human TF (3 nM), human FVIIa (5 pM), and FVIIa inhibi...


US Patent US9174974 (2015)

More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50192768
PNG
(CHEMBL3900166)
Show SMILES C[C@H]1COC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc1c(C)c3)c2)C1(CCC1)C(O)=O |r|
Show InChI InChI=1/C35H36FN5O5/c1-19-13-21-5-8-25(19)20(2)18-46-34(45)40-23-7-10-28(35(33(43)44)11-4-12-35)22(14-23)17-41(3)32(42)30(21)39-24-6-9-26-27(15-24)29(36)16-38-31(26)37/h5-10,13-16,20,30,39H,4,11-12,17-18H2,1-3H3,(H2,37,38)(H,40,45)(H,43,44)/t20-,30+/s2
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0.140n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TF-factor 7a using factor 10 as substrate at 37 degC


Bioorg Med Chem Lett 26: 5051-5057 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.088
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor VII


(Homo sapiens (Human))
BDBM189449
PNG
(US9174974, Example 35)
Show SMILES C[C@H]1COC(=O)Nc2cc(F)c(OCCN3CCCC3=O)c(CN(C)C(=O)[C@H](Nc3ccc4c(N)nccc4c3)c3ccc1c(C)c3)c2 |r|
Show InChI InChI=1/C36H39FN6O5/c1-21-15-24-6-8-28(21)22(2)20-48-36(46)41-27-17-25(33(30(37)18-27)47-14-13-43-12-4-5-31(43)44)19-42(3)35(45)32(24)40-26-7-9-29-23(16-26)10-11-39-34(29)38/h6-11,15-18,22,32,40H,4-5,12-14,19-20H2,1-3H3,(H2,38,39)(H,41,46)/t22-,32+/s2
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0.140n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
FVIIa-Xase Ki (37 C.): S2765 (0.5 mM), PCPS (25 μM), calcium chloride (5 mM), full-length human TF (3 nM), human FVIIa (5 pM), and FVIIa inhibi...


US Patent US9174974 (2015)

More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM189446
PNG
(US9174974, Example 32)
Show SMILES C[C@H]1COC(=O)Nc2cc(F)c(OC(CF)CF)c(CN(C)C(=O)[C@H](Nc3ccc4c(N)nccc4c3)c3ccc1c(C)c3)c2 |r|
Show InChI InChI=1/C33H34F3N5O4/c1-18-10-21-4-6-26(18)19(2)17-44-33(43)40-24-12-22(30(28(36)13-24)45-25(14-34)15-35)16-41(3)32(42)29(21)39-23-5-7-27-20(11-23)8-9-38-31(27)37/h4-13,19,25,29,39H,14-17H2,1-3H3,(H2,37,38)(H,40,43)/t19-,29+/s2
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0.150n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
FVIIa-Xase Ki (37 C.): S2765 (0.5 mM), PCPS (25 μM), calcium chloride (5 mM), full-length human TF (3 nM), human FVIIa (5 pM), and FVIIa inhibi...


US Patent US9174974 (2015)

More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM189445
PNG
(US9174974, Example 31)
Show SMILES C[C@H]1COC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)nccc4c3)c3ccc1c(C)c3)c2)S(=O)(=O)C1CC1 |r|
Show InChI InChI=1/C33H35N5O5S/c1-19-14-22-4-9-27(19)20(2)18-43-33(40)37-25-6-11-29(44(41,42)26-7-8-26)23(16-25)17-38(3)32(39)30(22)36-24-5-10-28-21(15-24)12-13-35-31(28)34/h4-6,9-16,20,26,30,36H,7-8,17-18H2,1-3H3,(H2,34,35)(H,37,40)/t20-,30+/s2
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0.160n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human TF-factor 7a (366 to 11 residues) using factor 10 as substrate after 60 mins


Bioorg Med Chem Lett 26: 5051-5057 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.088
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM189445
PNG
(US9174974, Example 31)
Show SMILES C[C@H]1COC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)nccc4c3)c3ccc1c(C)c3)c2)S(=O)(=O)C1CC1 |r|
Show InChI InChI=1/C33H35N5O5S/c1-19-14-22-4-9-27(19)20(2)18-43-33(40)37-25-6-11-29(44(41,42)26-7-8-26)23(16-25)17-38(3)32(39)30(22)36-24-5-10-28-21(15-24)12-13-35-31(28)34/h4-6,9-16,20,26,30,36H,7-8,17-18H2,1-3H3,(H2,34,35)(H,37,40)/t20-,30+/s2
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0.160n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of full-length human TF/recombinant human factor 7a assessed as decrease in conversion of factor 10 to factor 10a by measuring S2765 hydro...


J Med Chem 59: 7125-37 (2016)

More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM189445
PNG
(US9174974, Example 31)
Show SMILES C[C@H]1COC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)nccc4c3)c3ccc1c(C)c3)c2)S(=O)(=O)C1CC1 |r|
Show InChI InChI=1/C33H35N5O5S/c1-19-14-22-4-9-27(19)20(2)18-43-33(40)37-25-6-11-29(44(41,42)26-7-8-26)23(16-25)17-38(3)32(39)30(22)36-24-5-10-28-21(15-24)12-13-35-31(28)34/h4-6,9-16,20,26,30,36H,7-8,17-18H2,1-3H3,(H2,34,35)(H,37,40)/t20-,30+/s2
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0.170n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
FVIIa-Xase Ki (37 C.): S2765 (0.5 mM), PCPS (25 μM), calcium chloride (5 mM), full-length human TF (3 nM), human FVIIa (5 pM), and FVIIa inhibi...


US Patent US9174974 (2015)

More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM189444
PNG
(US9174974, Example 30)
Show SMILES C[C@H](CO)Oc1c(F)cc2NC(=O)OC[C@H](C)c3ccc(cc3C)[C@@H](Nc3ccc4c(N)nccc4c3)C(=O)N(C)Cc1c2 |r|
Show InChI InChI=1/C33H36FN5O5/c1-18-11-22-5-7-26(18)19(2)17-43-33(42)38-25-13-23(30(28(34)14-25)44-20(3)16-40)15-39(4)32(41)29(22)37-24-6-8-27-21(12-24)9-10-36-31(27)35/h5-14,19-20,29,37,40H,15-17H2,1-4H3,(H2,35,36)(H,38,42)/t19-,20+,29+/s2
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0.170n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
FVIIa-Xase Ki (37 C.): S2765 (0.5 mM), PCPS (25 μM), calcium chloride (5 mM), full-length human TF (3 nM), human FVIIa (5 pM), and FVIIa inhibi...


US Patent US9174974 (2015)

More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM189443
PNG
(US9174974, Example 29)
Show SMILES C[C@H]1COC(=O)Nc2cc(F)c(c(CN(C)C(=O)[C@H](Nc3cc4ccnc(N)c4cc3F)c3ccc1c(C)c3)c2)S(=O)(=O)C1CC1 |r|
Show InChI InChI=1/C33H33F2N5O5S/c1-17-10-20-4-7-24(17)18(2)16-45-33(42)38-22-11-21(30(27(35)13-22)46(43,44)23-5-6-23)15-40(3)32(41)29(20)39-28-12-19-8-9-37-31(36)25(19)14-26(28)34/h4,7-14,18,23,29,39H,5-6,15-16H2,1-3H3,(H2,36,37)(H,38,42)/t18-,29+/s2
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0.170n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
FVIIa-Xase Ki (37 C.): S2765 (0.5 mM), PCPS (25 μM), calcium chloride (5 mM), full-length human TF (3 nM), human FVIIa (5 pM), and FVIIa inhibi...


US Patent US9174974 (2015)

More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM189452
PNG
(US9174974, Example 28)
Show SMILES COCCCOc1c(F)cc2NC(=O)OC[C@H](C)c3ccc(cc3C)[C@@H](Nc3ccc4c(N)nccc4c3)C(=O)N(C)Cc1c2 |r|
Show InChI InChI=1/C34H38FN5O5/c1-20-14-23-6-8-27(20)21(2)19-45-34(42)39-26-16-24(31(29(35)17-26)44-13-5-12-43-4)18-40(3)33(41)30(23)38-25-7-9-28-22(15-25)10-11-37-32(28)36/h6-11,14-17,21,30,38H,5,12-13,18-19H2,1-4H3,(H2,36,37)(H,39,42)/t21-,30+/s2
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0.200n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
FVIIa-Xase Ki (37 C.): S2765 (0.5 mM), PCPS (25 μM), calcium chloride (5 mM), full-length human TF (3 nM), human FVIIa (5 pM), and FVIIa inhibi...


US Patent US9174974 (2015)

More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50192767
PNG
(CHEMBL3984725)
Show SMILES C[C@H]1COC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc1c(C)c3)c2)C1(CCCC1)C(O)=O |r|
Show InChI InChI=1/C36H38FN5O5/c1-20-14-22-6-9-26(20)21(2)19-47-35(46)41-24-8-11-29(36(34(44)45)12-4-5-13-36)23(15-24)18-42(3)33(43)31(22)40-25-7-10-27-28(16-25)30(37)17-39-32(27)38/h6-11,14-17,21,31,40H,4-5,12-13,18-19H2,1-3H3,(H2,38,39)(H,41,46)(H,44,45)/t21-,31+/s2
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0.220n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TF-factor 7a using factor 10 as substrate at 37 degC


Bioorg Med Chem Lett 26: 5051-5057 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.088
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM189441
PNG
(US9174974, Example 26)
Show SMILES C[C@H]1COC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3cc4ccnc(N)c4cc3F)c3ccc1c(C)c3)c2)S(=O)(=O)C1CC1 |r|
Show InChI InChI=1/C33H34FN5O5S/c1-18-12-21-4-8-25(18)19(2)17-44-33(41)37-23-5-9-29(45(42,43)24-6-7-24)22(13-23)16-39(3)32(40)30(21)38-28-14-20-10-11-36-31(35)26(20)15-27(28)34/h4-5,8-15,19,24,30,38H,6-7,16-17H2,1-3H3,(H2,35,36)(H,37,41)/t19-,30+/s2
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0.230n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
FVIIa-Xase Ki (37 C.): S2765 (0.5 mM), PCPS (25 μM), calcium chloride (5 mM), full-length human TF (3 nM), human FVIIa (5 pM), and FVIIa inhibi...


US Patent US9174974 (2015)

More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM189442
PNG
(US9174974, Example 27)
Show SMILES C[C@H]1COC(=O)Nc2cc(F)c(O[C@@H]3COC[C@@H]3O)c(CN(C)C(=O)[C@H](Nc3ccc4c(N)nccc4c3)c3ccc1c(C)c3)c2 |r|
Show InChI InChI=1/C34H36FN5O6/c1-18-10-21-4-6-25(18)19(2)15-45-34(43)39-24-12-22(31(27(35)13-24)46-29-17-44-16-28(29)41)14-40(3)33(42)30(21)38-23-5-7-26-20(11-23)8-9-37-32(26)36/h4-13,19,28-30,38,41H,14-17H2,1-3H3,(H2,36,37)(H,39,43)/t19-,28-,29+,30+/s2
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0.230n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
FVIIa-Xase Ki (37 C.): S2765 (0.5 mM), PCPS (25 μM), calcium chloride (5 mM), full-length human TF (3 nM), human FVIIa (5 pM), and FVIIa inhibi...


US Patent US9174974 (2015)

More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM189441
PNG
(US9174974, Example 26)
Show SMILES C[C@H]1COC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3cc4ccnc(N)c4cc3F)c3ccc1c(C)c3)c2)S(=O)(=O)C1CC1 |r|
Show InChI InChI=1/C33H34FN5O5S/c1-18-12-21-4-8-25(18)19(2)17-44-33(41)37-23-5-9-29(45(42,43)24-6-7-24)22(13-23)16-39(3)32(40)30(21)38-28-14-20-10-11-36-31(35)26(20)15-27(28)34/h4-5,8-15,19,24,30,38H,6-7,16-17H2,1-3H3,(H2,35,36)(H,37,41)/t19-,30+/s2
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0.230n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of full-length human TF/recombinant human factor 7a assessed as decrease in conversion of factor 10 to factor 10a by measuring S2765 hydro...


J Med Chem 59: 7125-37 (2016)

More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50205841
PNG
(CHEMBL3898956)
Show SMILES C[C@@H]1CC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc(OCC(F)F)c1c3)c2)S(=O)(=O)C1CC1 |r|
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0.240n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of recombinant human factor-7a/TF using S2288 as substrate measured after 60 mins at 37 degC


ACS Med Chem Lett 8: 67-72 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00375
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM189440
PNG
(US9174974, Example 25)
Show SMILES COc1cc2[C@@H](Nc3cc4ccnc(N)c4cc3F)C(=O)N(C)Cc3cc(NC(=O)OC[C@H](C)c1cc2F)ccc3S(=O)(=O)C1CC1 |r|
Show InChI InChI=1/C33H33F2N5O6S/c1-17-16-46-33(42)38-20-4-7-29(47(43,44)21-5-6-21)19(10-20)15-40(2)32(41)30(24-14-28(45-3)22(17)12-25(24)34)39-27-11-18-8-9-37-31(36)23(18)13-26(27)35/h4,7-14,17,21,30,39H,5-6,15-16H2,1-3H3,(H2,36,37)(H,38,42)/t17-,30+/s2
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0.25n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
FVIIa-Xase Ki (37 C.): S2765 (0.5 mM), PCPS (25 μM), calcium chloride (5 mM), full-length human TF (3 nM), human FVIIa (5 pM), and FVIIa inhibi...


US Patent US9174974 (2015)

More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50191346
PNG
(CHEMBL3978562)
Show SMILES CCOP(O)(=O)c1ccc2NC(=O)OC[C@H](C)c3ccc(cc3C)[C@@H](Nc3ccc4c(N)nccc4c3)C(=O)N(C)Cc1c2 |r|
Show InChI InChI=1/C32H36N5O6P/c1-5-43-44(40,41)28-11-8-25-16-23(28)17-37(4)31(38)29(35-24-7-10-27-21(15-24)12-13-34-30(27)33)22-6-9-26(19(2)14-22)20(3)18-42-32(39)36-25/h6-16,20,29,35H,5,17-18H2,1-4H3,(H2,33,34)(H,36,39)(H,40,41)/t20-,29+/s2
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0.280n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of full-length human TF/recombinant human factor 7a assessed as decrease in conversion of factor 10 to factor 10a by measuring S2765 hydro...


J Med Chem 59: 7125-37 (2016)

More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM189439
PNG
(US9174974, Example 24)
Show SMILES CN1Cc2cc(NC(=O)OC[C@H](CF)c3ccc(cc3C)[C@@H](Nc3ccc4c(N)nccc4c3)C1=O)ccc2S(=O)(=O)C1CC1 |r|
Show InChI InChI=1/C33H34FN5O5S/c1-19-13-21-3-8-27(19)23(16-34)18-44-33(41)38-25-5-10-29(45(42,43)26-6-7-26)22(15-25)17-39(2)32(40)30(21)37-24-4-9-28-20(14-24)11-12-36-31(28)35/h3-5,8-15,23,26,30,37H,6-7,16-18H2,1-2H3,(H2,35,36)(H,38,41)/t23-,30+/s2
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0.280n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
FVIIa-Xase Ki (37 C.): S2765 (0.5 mM), PCPS (25 μM), calcium chloride (5 mM), full-length human TF (3 nM), human FVIIa (5 pM), and FVIIa inhibi...


US Patent US9174974 (2015)

More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM189438
PNG
(US9174974, Example 23)
Show SMILES CCN(Cc1nccs1)C(=O)c1ccc2NC(=O)OC[C@H](C)c3ccc(cc3C)[C@@H](Nc3ccc4c(N)nccc4c3)C(=O)N(C)Cc1c2 |r|
Show InChI InChI=1/C37H39N7O4S/c1-5-44(20-32-39-14-15-49-32)35(45)31-11-8-28-18-26(31)19-43(4)36(46)33(41-27-7-10-30-24(17-27)12-13-40-34(30)38)25-6-9-29(22(2)16-25)23(3)21-48-37(47)42-28/h6-18,23,33,41H,5,19-21H2,1-4H3,(H2,38,40)(H,42,47)/t23-,33+/s2
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0.300n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
FVIIa-Xase Ki (37 C.): S2765 (0.5 mM), PCPS (25 μM), calcium chloride (5 mM), full-length human TF (3 nM), human FVIIa (5 pM), and FVIIa inhibi...


US Patent US9174974 (2015)

More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM189437
PNG
(US9174974, Example 22)
Show SMILES C[C@H]1COC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)nccc4c3)c3ccc1c(C)c3)c2)S(=O)(=O)C(C)(C)C |r|
Show InChI InChI=1/C34H39N5O5S/c1-20-15-23-7-10-27(20)21(2)19-44-33(41)38-26-9-12-29(45(42,43)34(3,4)5)24(17-26)18-39(6)32(40)30(23)37-25-8-11-28-22(16-25)13-14-36-31(28)35/h7-17,21,30,37H,18-19H2,1-6H3,(H2,35,36)(H,38,41)/t21-,30+/s2
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0.310n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
FVIIa-Xase Ki (37 C.): S2765 (0.5 mM), PCPS (25 μM), calcium chloride (5 mM), full-length human TF (3 nM), human FVIIa (5 pM), and FVIIa inhibi...


US Patent US9174974 (2015)

More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM189436
PNG
(US9174974, Example 21)
Show SMILES C[C@H]1COC(=O)Nc2cc(F)c(OC[C@H](O)C3CC3)c(CN(C)C(=O)[C@H](Nc3ccc4c(N)nccc4c3)c3ccc1c(C)c3)c2 |r|
Show InChI InChI=1/C35H38FN5O5/c1-19-12-23-6-8-27(19)20(2)17-46-35(44)40-26-14-24(32(29(36)15-26)45-18-30(42)21-4-5-21)16-41(3)34(43)31(23)39-25-7-9-28-22(13-25)10-11-38-33(28)37/h6-15,20-21,30-31,39,42H,4-5,16-18H2,1-3H3,(H2,37,38)(H,40,44)/t20-,30-,31+/s2
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0.340n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
FVIIa-Xase Ki (37 C.): S2765 (0.5 mM), PCPS (25 μM), calcium chloride (5 mM), full-length human TF (3 nM), human FVIIa (5 pM), and FVIIa inhibi...


US Patent US9174974 (2015)

More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM14714
PNG
((2R)-N-[(3-aminobenzene)sulfonyl]-2-[(4-carbamimid...)
Show SMILES CCOc1cc(OCC)c(F)c(c1)[C@@H](Nc1ccc(C(N)=N)c(O)c1)C(=O)NS(=O)(=O)c1cccc(N)c1 |r|
Show InChI InChI=1S/C25H28FN5O6S/c1-3-36-16-12-19(22(26)21(13-16)37-4-2)23(30-15-8-9-18(24(28)29)20(32)11-15)25(33)31-38(34,35)17-7-5-6-14(27)10-17/h5-13,23,30,32H,3-4,27H2,1-2H3,(H3,28,29)(H,31,33)/t23-/m1/s1
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0.350 -12.8n/an/an/an/an/a7.822



Genentech



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Biol Chem 280: 9160-9 (2005)


Article DOI: 10.1074/jbc.M409068200
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor VII


(Homo sapiens (Human))
BDBM14714
PNG
((2R)-N-[(3-aminobenzene)sulfonyl]-2-[(4-carbamimid...)
Show SMILES CCOc1cc(OCC)c(F)c(c1)[C@@H](Nc1ccc(C(N)=N)c(O)c1)C(=O)NS(=O)(=O)c1cccc(N)c1 |r|
Show InChI InChI=1S/C25H28FN5O6S/c1-3-36-16-12-19(22(26)21(13-16)37-4-2)23(30-15-8-9-18(24(28)29)20(32)11-15)25(33)31-38(34,35)17-7-5-6-14(27)10-17/h5-13,23,30,32H,3-4,27H2,1-2H3,(H3,28,29)(H,31,33)/t23-/m1/s1
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0.350n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human factor 7a


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor VII


(Homo sapiens (Human))
BDBM189435
PNG
(US9174974, Example 20)
Show SMILES CC(C)S(=O)(=O)c1c(F)cc2NC(=O)OC[C@H](C)c3ccc(cc3C)[C@@H](Nc3cc(F)c4c(N)nccc4c3)C(=O)N(C)Cc1c2 |r|
Show InChI InChI=1/C33H35F2N5O5S/c1-17(2)46(43,44)30-22-12-24(14-27(30)35)39-33(42)45-16-19(4)25-7-6-21(10-18(25)3)29(32(41)40(5)15-22)38-23-11-20-8-9-37-31(36)28(20)26(34)13-23/h6-14,17,19,29,38H,15-16H2,1-5H3,(H2,36,37)(H,39,42)/t19-,29+/s2
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0.360n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
FVIIa-Xase Ki (37 C.): S2765 (0.5 mM), PCPS (25 μM), calcium chloride (5 mM), full-length human TF (3 nM), human FVIIa (5 pM), and FVIIa inhibi...


US Patent US9174974 (2015)

More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM189434
PNG
(US9174974, Example 19)
Show SMILES C[C@H]1COC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc1c(C)c3)c2)S(=O)(=O)C1CC1 |r|
Show InChI InChI=1/C33H34FN5O5S/c1-18-12-20-4-9-25(18)19(2)17-44-33(41)38-22-6-11-29(45(42,43)24-7-8-24)21(13-22)16-39(3)32(40)30(20)37-23-5-10-26-27(14-23)28(34)15-36-31(26)35/h4-6,9-15,19,24,30,37H,7-8,16-17H2,1-3H3,(H2,35,36)(H,38,41)/t19-,30+/s2
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0.430n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
FVIIa-Xase Ki (37 C.): S2765 (0.5 mM), PCPS (25 μM), calcium chloride (5 mM), full-length human TF (3 nM), human FVIIa (5 pM), and FVIIa inhibi...


US Patent US9174974 (2015)

More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM189434
PNG
(US9174974, Example 19)
Show SMILES C[C@H]1COC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc1c(C)c3)c2)S(=O)(=O)C1CC1 |r|
Show InChI InChI=1/C33H34FN5O5S/c1-18-12-20-4-9-25(18)19(2)17-44-33(41)38-22-6-11-29(45(42,43)24-7-8-24)21(13-22)16-39(3)32(40)30(20)37-23-5-10-26-27(14-23)28(34)15-36-31(26)35/h4-6,9-15,19,24,30,37H,7-8,16-17H2,1-3H3,(H2,35,36)(H,38,41)/t19-,30+/s2
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0.430n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of full-length human TF/recombinant human factor 7a assessed as decrease in conversion of factor 10 to factor 10a by measuring S2765 hydro...


J Med Chem 59: 7125-37 (2016)

More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM189433
PNG
(US9174974, Example 18)
Show SMILES C[C@H]1COC(=O)Nc2cc(F)c(OCC3(CC3)[N+]#[C-])c(CN(C)C(=O)[C@H](Nc3ccc4c(N)nccc4c3)c3ccc1c(C)c3)c2 |r|
Show InChI InChI=1/C35H35FN6O4/c1-20-13-23-5-7-27(20)21(2)18-45-34(44)41-26-15-24(31(29(36)16-26)46-19-35(38-3)10-11-35)17-42(4)33(43)30(23)40-25-6-8-28-22(14-25)9-12-39-32(28)37/h5-9,12-16,21,30,40H,10-11,17-19H2,1-2,4H3,(H2,37,39)(H,41,44)/t21-,30+/s2
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0.440n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
FVIIa-Xase Ki (37 C.): S2765 (0.5 mM), PCPS (25 μM), calcium chloride (5 mM), full-length human TF (3 nM), human FVIIa (5 pM), and FVIIa inhibi...


US Patent US9174974 (2015)

More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM189432
PNG
(US9174974, Example 17)
Show SMILES C[C@H](O)COc1c(F)cc2NC(=O)OC[C@H](C)c3ccc(cc3C)[C@@H](Nc3ccc4c(N)nccc4c3)C(=O)N(C)Cc1c2 |r|
Show InChI InChI=1/C33H36FN5O5/c1-18-11-22-5-7-26(18)19(2)16-44-33(42)38-25-13-23(30(28(34)14-25)43-17-20(3)40)15-39(4)32(41)29(22)37-24-6-8-27-21(12-24)9-10-36-31(27)35/h5-14,19-20,29,37,40H,15-17H2,1-4H3,(H2,35,36)(H,38,42)/t19-,20-,29+/s2
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0.460n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
FVIIa-Xase Ki (37 C.): S2765 (0.5 mM), PCPS (25 μM), calcium chloride (5 mM), full-length human TF (3 nM), human FVIIa (5 pM), and FVIIa inhibi...


US Patent US9174974 (2015)

More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM189431
PNG
(US9174974, Example 16)
Show SMILES CN1Cc2cc(NC(=O)OC[C@H](C(F)F)c3ccc(cc3C)[C@@H](Nc3ccc4c(N)nccc4c3)C1=O)ccc2S(=O)(=O)C1CC1 |r|
Show InChI InChI=1/C33H33F2N5O5S/c1-18-13-20-3-8-25(18)27(30(34)35)17-45-33(42)39-23-5-10-28(46(43,44)24-6-7-24)21(15-23)16-40(2)32(41)29(20)38-22-4-9-26-19(14-22)11-12-37-31(26)36/h3-5,8-15,24,27,29-30,38H,6-7,16-17H2,1-2H3,(H2,36,37)(H,39,42)/t27-,29+/s2
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0.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
FVIIa-Xase Ki (37 C.): S2765 (0.5 mM), PCPS (25 μM), calcium chloride (5 mM), full-length human TF (3 nM), human FVIIa (5 pM), and FVIIa inhibi...


US Patent US9174974 (2015)

More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50192771
PNG
(CHEMBL3898371)
Show SMILES [H][C@]1(C)COC(=O)Nc2ccc(c(CN(C)C(=O)[C@]([H])(Nc3ccc4c(c3)c(F)c[nH]c4=N)c3ccc1c(C)c3)c2)C1(CC1)C(O)=O |r|
Show InChI InChI=1/C34H34FN5O5/c1-18-12-20-4-7-24(18)19(2)17-45-33(44)39-22-6-9-27(34(10-11-34)32(42)43)21(13-22)16-40(3)31(41)29(20)38-23-5-8-25-26(14-23)28(35)15-37-30(25)36/h4-9,12-15,19,29,38H,10-11,16-17H2,1-3H3,(H2,36,37)(H,39,44)(H,42,43)/t19-,29+/s2
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0.550n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TF-factor 7a using factor 10 as substrate at 37 degC


Bioorg Med Chem Lett 26: 5051-5057 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.088
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM189430
PNG
(US9174974, Example 15)
Show SMILES C[C@H]1COC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc1c(C)c3)c2)C1(CC1)C(O)=O |r|
Show InChI InChI=1/C34H34FN5O5/c1-18-12-20-4-7-24(18)19(2)17-45-33(44)39-22-6-9-27(34(10-11-34)32(42)43)21(13-22)16-40(3)31(41)29(20)38-23-5-8-25-26(14-23)28(35)15-37-30(25)36/h4-9,12-15,19,29,38H,10-11,16-17H2,1-3H3,(H2,36,37)(H,39,44)(H,42,43)/t19-,29+/s2
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0.550n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
FVIIa-Xase Ki (37 C.): S2765 (0.5 mM), PCPS (25 μM), calcium chloride (5 mM), full-length human TF (3 nM), human FVIIa (5 pM), and FVIIa inhibi...


US Patent US9174974 (2015)

More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM189429
PNG
(US9174974, Example 14)
Show SMILES CCN(CC)C(=O)c1ccc2NC(=O)OC[C@H](C)c3ccc(cc3C)[C@@H](Nc3ccc4c(N)nccc4c3)C(=O)N(C)Cc1c2 |r|
Show InChI InChI=1/C35H40N6O4/c1-6-41(7-2)33(42)30-13-10-27-18-25(30)19-40(5)34(43)31(38-26-9-12-29-23(17-26)14-15-37-32(29)36)24-8-11-28(21(3)16-24)22(4)20-45-35(44)39-27/h8-18,22,31,38H,6-7,19-20H2,1-5H3,(H2,36,37)(H,39,44)/t22-,31+/s2
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0.570n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of full-length human TF/recombinant human factor 7a assessed as decrease in conversion of factor 10 to factor 10a by measuring S2765 hydro...


J Med Chem 59: 7125-37 (2016)

More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM189429
PNG
(US9174974, Example 14)
Show SMILES CCN(CC)C(=O)c1ccc2NC(=O)OC[C@H](C)c3ccc(cc3C)[C@@H](Nc3ccc4c(N)nccc4c3)C(=O)N(C)Cc1c2 |r|
Show InChI InChI=1/C35H40N6O4/c1-6-41(7-2)33(42)30-13-10-27-18-25(30)19-40(5)34(43)31(38-26-9-12-29-23(17-26)14-15-37-32(29)36)24-8-11-28(21(3)16-24)22(4)20-45-35(44)39-27/h8-18,22,31,38H,6-7,19-20H2,1-5H3,(H2,36,37)(H,39,44)/t22-,31+/s2
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0.570n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
FVIIa-Xase Ki (37 C.): S2765 (0.5 mM), PCPS (25 μM), calcium chloride (5 mM), full-length human TF (3 nM), human FVIIa (5 pM), and FVIIa inhibi...


US Patent US9174974 (2015)

More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM189428
PNG
(US9174974, Example 13)
Show SMILES CC[C@@H](C(O)=O)c1ccc2NC(=O)OC[C@H](C)c3ccc(cc3C)[C@@H](Nc3ccc4c(N)ncc(F)c4c3)C(=O)N(C)Cc1c2 |r|
Show InChI InChI=1/C34H36FN5O5/c1-5-24(33(42)43)26-10-7-22-13-21(26)16-40(4)32(41)30(38-23-8-11-27-28(14-23)29(35)15-37-31(27)36)20-6-9-25(18(2)12-20)19(3)17-45-34(44)39-22/h6-15,19,24,30,38H,5,16-17H2,1-4H3,(H2,36,37)(H,39,44)(H,42,43)/t19-,24+,30+/s2
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0.610n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
FVIIa-Xase Ki (37 C.): S2765 (0.5 mM), PCPS (25 μM), calcium chloride (5 mM), full-length human TF (3 nM), human FVIIa (5 pM), and FVIIa inhibi...


US Patent US9174974 (2015)

More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM189427
PNG
(US9174974, Example 12)
Show SMILES CCOP(=O)(OCC)c1ccc2NC(=O)OC[C@H](C)c3ccc(cc3C)[C@@H](Nc3ccc4c(N)nccc4c3)C(=O)N(C)Cc1c2 |r|
Show InChI InChI=1/C34H40N5O6P/c1-6-44-46(42,45-7-2)30-13-10-27-18-25(30)19-39(5)33(40)31(37-26-9-12-29-23(17-26)14-15-36-32(29)35)24-8-11-28(21(3)16-24)22(4)20-43-34(41)38-27/h8-18,22,31,37H,6-7,19-20H2,1-5H3,(H2,35,36)(H,38,41)/t22-,31+/s2
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0.610n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of full-length human TF/recombinant human factor 7a assessed as decrease in conversion of factor 10 to factor 10a by measuring S2765 hydro...


J Med Chem 59: 7125-37 (2016)

More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM189427
PNG
(US9174974, Example 12)
Show SMILES CCOP(=O)(OCC)c1ccc2NC(=O)OC[C@H](C)c3ccc(cc3C)[C@@H](Nc3ccc4c(N)nccc4c3)C(=O)N(C)Cc1c2 |r|
Show InChI InChI=1/C34H40N5O6P/c1-6-44-46(42,45-7-2)30-13-10-27-18-25(30)19-39(5)33(40)31(37-26-9-12-29-23(17-26)14-15-36-32(29)35)24-8-11-28(21(3)16-24)22(4)20-43-34(41)38-27/h8-18,22,31,37H,6-7,19-20H2,1-5H3,(H2,35,36)(H,38,41)/t22-,31+/s2
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0.620n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
FVIIa-Xase Ki (37 C.): S2765 (0.5 mM), PCPS (25 μM), calcium chloride (5 mM), full-length human TF (3 nM), human FVIIa (5 pM), and FVIIa inhibi...


US Patent US9174974 (2015)

More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50437440
PNG
(CHEMBL2409219)
Show SMILES COc1cc([C@@H]2Nc3ccc(cc3[C@@H]3[C@H]2Cc2ccccc32)C(N)=N)c(cc1O)-c1ccccc1C(O)=O |r|
Show InChI InChI=1S/C31H27N3O4/c1-38-27-15-22(21(14-26(27)35)19-8-4-5-9-20(19)31(36)37)29-24-12-16-6-2-3-7-18(16)28(24)23-13-17(30(32)33)10-11-25(23)34-29/h2-11,13-15,24,28-29,34-35H,12H2,1H3,(H3,32,33)(H,36,37)/t24-,28-,29+/m1/s1
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0.620n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human coagulation factor 7A


Bioorg Med Chem Lett 23: 2432-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.013
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM189426
PNG
(US9174974, Example 11)
Show SMILES C[C@H]1COC(=O)Nc2cc(F)c(c(CN(C)C(=O)[C@H](Nc3cc(F)c4c(N)nccc4c3)c3ccc1c(C)c3)c2)S(=O)(=O)C1CC1 |r|
Show InChI InChI=1/C33H33F2N5O5S/c1-17-10-20-4-7-25(17)18(2)16-45-33(42)39-23-12-21(30(27(35)14-23)46(43,44)24-5-6-24)15-40(3)32(41)29(20)38-22-11-19-8-9-37-31(36)28(19)26(34)13-22/h4,7-14,18,24,29,38H,5-6,15-16H2,1-3H3,(H2,36,37)(H,39,42)/t18-,29+/s2
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0.660n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
FVIIa-Xase Ki (37 C.): S2765 (0.5 mM), PCPS (25 μM), calcium chloride (5 mM), full-length human TF (3 nM), human FVIIa (5 pM), and FVIIa inhibi...


US Patent US9174974 (2015)

More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50098596
PNG
(CHEMBL3594313)
Show SMILES CCS(=O)(=O)c1ccc2NC(=O)CCCc3ccc(cc3)[C@@H](Nc3ccc(cc3)C(N)=N)C(=O)NCc1c2 |r|
Show InChI InChI=1/C28H31N5O4S/c1-2-38(36,37)24-15-14-23-16-21(24)17-31-28(35)26(33-22-12-10-20(11-13-22)27(29)30)19-8-6-18(7-9-19)4-3-5-25(34)32-23/h6-16,26,33H,2-5,17H2,1H3,(H3,29,30)(H,31,35)(H,32,34)/t26-/s2
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0.700n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TF/F7a complex using S2288 as substrate preincubated for 15 mins followed by protein addition measured for 60 mins


J Med Chem 58: 6225-36 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00788
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50192766
PNG
(CHEMBL3967204)
Show SMILES C[C@H]1COC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc1c(C)c3)c2)C1(CC1)c1nnn[nH]1 |r|
Show InChI InChI=1/C34H34FN9O3/c1-18-12-20-4-7-24(18)19(2)17-47-33(46)39-22-6-9-27(34(10-11-34)32-40-42-43-41-32)21(13-22)16-44(3)31(45)29(20)38-23-5-8-25-26(14-23)28(35)15-37-30(25)36/h4-9,12-15,19,29,38H,10-11,16-17H2,1-3H3,(H2,36,37)(H,39,46)(H,40,41,42,43)/t19-,29+/s2
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0.720n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TF-factor 7a using factor 10 as substrate at 37 degC


Bioorg Med Chem Lett 26: 5051-5057 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.088
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM189425
PNG
(US9174974, Example 10)
Show SMILES C[C@H]1COC(=O)Nc2ccc([C@@H](CC(F)F)C(O)=O)c(CN(C)C(=O)[C@H](Nc3ccc4c(N)ncc(F)c4c3)c3ccc1c(C)c3)c2 |r|
Show InChI InChI=1/C34H34F3N5O5/c1-17-10-19-4-7-23(17)18(2)16-47-34(46)41-21-5-8-24(27(33(44)45)13-29(36)37)20(11-21)15-42(3)32(43)30(19)40-22-6-9-25-26(12-22)28(35)14-39-31(25)38/h4-12,14,18,27,29-30,40H,13,15-16H2,1-3H3,(H2,38,39)(H,41,46)(H,44,45)/t18-,27+,30+/s2
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0.900n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
FVIIa-Xase Ki (37 C.): S2765 (0.5 mM), PCPS (25 μM), calcium chloride (5 mM), full-length human TF (3 nM), human FVIIa (5 pM), and FVIIa inhibi...


US Patent US9174974 (2015)

More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50191351
PNG
(CHEMBL3909009)
Show SMILES [H][C@]1(C)COC(=O)Nc2ccc(c(CN(C)C(=O)[C@]([H])(Nc3cc(F)c4c(cc[nH]c4=N)c3)c3ccc1c(C)c3)c2)S(=O)(=O)C1CC1 |r|
Show InChI InChI=1/C33H34FN5O5S/c1-18-12-21-4-8-26(18)19(2)17-44-33(41)38-23-5-9-28(45(42,43)25-6-7-25)22(14-23)16-39(3)32(40)30(21)37-24-13-20-10-11-36-31(35)29(20)27(34)15-24/h4-5,8-15,19,25,30,37H,6-7,16-17H2,1-3H3,(H2,35,36)(H,38,41)/t19-,30+/s2
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1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of full-length human TF/recombinant human factor 7a assessed as decrease in conversion of factor 10 to factor 10a by measuring S2765 hydro...


J Med Chem 59: 7125-37 (2016)

More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50440849
PNG
(CHEMBL2431588)
Show SMILES CCOc1cc(ccc1OC(C)C)C(Nc1ccc(cc1)C(N)=N)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H30N4O5S/c1-4-34-23-16-19(12-15-22(23)35-17(2)3)24(29-20-13-10-18(11-14-20)25(27)28)26(31)30-36(32,33)21-8-6-5-7-9-21/h5-17,24,29H,4H2,1-3H3,(H3,27,28)(H,30,31)
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1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of human factor 7a


Bioorg Med Chem Lett 25: 2169-73 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.062
More data for this
Ligand-Target Pair
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