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Compile Data Set for Download or QSAR

Found 144 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor VII'   
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 VII


(Oryctolagus cuniculus)
BDBM50032874
PNG
(CHEMBL3355683)
Show SMILES OC(=O)C(F)(F)F.NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1nc(c(Cl)[nH]1)-c1ccc2c(N)n[nH]c2c1
Show InChI InChI=1/C26H30ClN7O.C2HF3O2/c27-23-22(18-10-11-19-20(13-18)33-34-24(19)29)31-25(32-23)21(12-15-4-2-1-3-5-15)30-26(35)17-8-6-16(14-28)7-9-17;3-2(4,5)1(6)7/h1-5,10-11,13,16-17,21H,6-9,12,14,28H2,(H,30,35)(H,31,32)(H3,29,33,34);(H,6,7)/t16-,17-,21-;/s2
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1.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of rabbit coagulation factor 7a using H-(D)-Ile-Pro-Arg-pNA as substrate by spectrophotometric analysis


J Med Chem 57: 9915-32 (2014)


Article DOI: 10.1021/jm5010607
BindingDB Entry DOI: 10.7270/Q2RV0Q9S
More data for this
Ligand-Target Pair
Coagulation Factor VIII


(Homo sapiens (Human))
BDBM50425649
PNG
(CHEMBL2315239)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CN4CCN(CC4)CC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1
Show InChI InChI=1/C41H47N9O6S/c42-39(43)32-12-6-30(7-13-32)24-44-40(53)35-22-28-8-14-33(15-9-28)45-37(51)25-49-18-20-50(21-19-49)26-38(52)46-34-16-10-29(11-17-34)23-36(41(54)47-35)48-57(55,56)27-31-4-2-1-3-5-31/h1-17,35-36,48H,18-27H2,(H3,42,43)(H,44,53)(H,45,51)(H,46,52)(H,47,54)/t35-,36+/s2
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>3.00E+4n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human FVIIa


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Coagulation Factor VIII


(Homo sapiens (Human))
BDBM50425648
PNG
(CHEMBL2315243)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CCN4CCN(CC4)CCC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1
Show InChI InChI=1/C43H51N9O6S/c44-41(45)34-12-6-32(7-13-34)28-46-42(55)37-26-30-8-14-35(15-9-30)47-39(53)18-20-51-22-24-52(25-23-51)21-19-40(54)48-36-16-10-31(11-17-36)27-38(43(56)49-37)50-59(57,58)29-33-4-2-1-3-5-33/h1-17,37-38,50H,18-29H2,(H3,44,45)(H,46,55)(H,47,53)(H,48,54)(H,49,56)/t37-,38+/s2
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>5.00E+4n/an/an/an/an/an/an/an/a



Philipps University Marburg

Curated by ChEMBL


Assay Description
Inhibition of human FVIIa


J Med Chem 56: 820-31 (2013)


Article DOI: 10.1021/jm3012917
BindingDB Entry DOI: 10.7270/Q2RB75W8
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50235149
PNG
(CHEMBL4066780)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)C(CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@H]12)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1/C36H58O9/c1-19(2)20-9-14-36(31(43)45-30-29(42)28(41)27(40)22(17-37)44-30)16-15-34(5)21(26(20)36)7-8-24-32(3)12-11-25(39)33(4,18-38)23(32)10-13-35(24,34)6/h20-30,37-42H,1,7-18H2,2-6H3/t20-,21?,22+,23+,24+,25-,26-,27+,28-,29+,30-,32-,33-,34+,35+,36-/s2
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n/an/a 0.0280n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced tissue factor procoagulant activity in human THP1 cells preincubated for 1 hr followed by LPS addition measured after 5 hrs...


Bioorg Med Chem Lett 27: 1026-1030 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.066
BindingDB Entry DOI: 10.7270/Q2B27XJD
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50235153
PNG
(CHEBI:67985 | CHEMBL510111)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1/C36H58O8/c1-31(2)14-16-36(30(42)44-29-28(41)27(40)26(39)22(19-37)43-29)17-15-34(6)20(21(36)18-31)8-9-24-33(5)12-11-25(38)32(3,4)23(33)10-13-35(24,34)7/h8,21-29,37-41H,9-19H2,1-7H3/t21-,22+,23-,24+,25-,26+,27-,28+,29-,33-,34+,35+,36-/s2
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n/an/a 0.0350n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced tissue factor procoagulant activity in human THP1 cells preincubated for 1 hr followed by LPS addition measured after 5 hrs...


Bioorg Med Chem Lett 27: 1026-1030 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.066
BindingDB Entry DOI: 10.7270/Q2B27XJD
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50235152
PNG
(CHEBI:4747 | CHEMBL230128)
Show SMILES CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
Show InChI InChI=1S/C30H48O4/c1-25(2)14-15-30(24(33)34)19(16-25)18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,6)29(18,7)17-23(30)32/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21+,22-,23+,27-,28+,29+,30+/m0/s1
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n/an/a 0.0540n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced tissue factor procoagulant activity in human THP1 cells preincubated for 1 hr followed by LPS addition measured after 5 hrs...


Bioorg Med Chem Lett 27: 1026-1030 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.066
BindingDB Entry DOI: 10.7270/Q2B27XJD
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50235142
PNG
(CHEMBL4070749)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)C(CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@H]12)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1/C36H58O8/c1-19(2)20-10-15-36(31(42)44-30-29(41)28(40)27(39)22(18-37)43-30)17-16-34(6)21(26(20)36)8-9-24-33(5)13-12-25(38)32(3,4)23(33)11-14-35(24,34)7/h20-30,37-41H,1,8-18H2,2-7H3/t20-,21?,22+,23-,24+,25-,26-,27+,28-,29+,30-,33-,34+,35+,36-/s2
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n/an/a 0.0780n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced tissue factor procoagulant activity in human THP1 cells preincubated for 1 hr followed by LPS addition measured after 5 hrs...


Bioorg Med Chem Lett 27: 1026-1030 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.066
BindingDB Entry DOI: 10.7270/Q2B27XJD
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50235147
PNG
(VITALBOSIDE A | Vitalboside A)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
Show InChI InChI=1/C36H58O8/c1-31(2)14-16-36(30(41)42)17-15-34(6)20(21(36)18-31)8-9-24-33(5)12-11-25(32(3,4)23(33)10-13-35(24,34)7)44-29-28(40)27(39)26(38)22(19-37)43-29/h8,21-29,37-40H,9-19H2,1-7H3,(H,41,42)/t21-,22+,23-,24+,25-,26+,27-,28+,29-,33-,34+,35+,36-/s2
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n/an/a 0.0950n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced tissue factor procoagulant activity in human THP1 cells preincubated for 1 hr followed by LPS addition measured after 5 hrs...


Bioorg Med Chem Lett 27: 1026-1030 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.066
BindingDB Entry DOI: 10.7270/Q2B27XJD
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50442880
PNG
(4-Epi-Hederagenin | HEDERAGENIN | Hederagenin)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
Show InChI InChI=1/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/s2
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n/an/a 0.221n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced tissue factor procoagulant activity in human THP1 cells preincubated for 1 hr followed by LPS addition measured after 5 hrs...


Bioorg Med Chem Lett 27: 1026-1030 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.066
BindingDB Entry DOI: 10.7270/Q2B27XJD
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50234590
PNG
(CHEMBL4092579)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)C(CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@H]12)C(O)=O
Show InChI InChI=1/C30H48O4/c1-18(2)19-9-14-30(25(33)34)16-15-28(5)20(24(19)30)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h19-24,31-32H,1,7-17H2,2-6H3,(H,33,34)/t19-,20?,21+,22+,23-,24-,26-,27-,28+,29+,30-/s2
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n/an/a 0.221n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced tissue factor procoagulant activity in human THP1 cells preincubated for 1 hr followed by LPS addition measured after 5 hrs...


Bioorg Med Chem Lett 27: 1026-1030 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.066
BindingDB Entry DOI: 10.7270/Q2B27XJD
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50346613
PNG
(CHEMBL470029 | Oleanonic Acid)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
Show InChI InChI=1/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-22H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,27-,28+,29+,30-/s2
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n/an/a 0.221n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced tissue factor procoagulant activity in human THP1 cells preincubated for 1 hr followed by LPS addition measured after 5 hrs...


Bioorg Med Chem Lett 27: 1026-1030 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.066
BindingDB Entry DOI: 10.7270/Q2B27XJD
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50235150
PNG
(CHEBI:67947 | CHEMBL1910843)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1/C36H58O9/c1-31(2)13-15-36(30(43)45-29-28(42)27(41)26(40)22(18-37)44-29)16-14-34(5)20(21(36)17-31)7-8-24-32(3)11-10-25(39)33(4,19-38)23(32)9-12-35(24,34)6/h7,21-29,37-42H,8-19H2,1-6H3/t21-,22+,23+,24+,25-,26+,27-,28+,29-,32-,33-,34+,35+,36-/s2
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n/an/a 0.280n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced tissue factor procoagulant activity in human THP1 cells preincubated for 1 hr followed by LPS addition measured after 5 hrs...


Bioorg Med Chem Lett 27: 1026-1030 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.066
BindingDB Entry DOI: 10.7270/Q2B27XJD
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50235151
PNG
(CHEMBL4064877)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)C(CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]34C)[C@H]12)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1/C42H68O13/c1-20(2)21-10-15-42(37(51)55-36-34(50)32(48)30(46)24(19-44)53-36)17-16-40(6)22(28(21)42)8-9-26-39(5)13-12-27(38(3,4)25(39)11-14-41(26,40)7)54-35-33(49)31(47)29(45)23(18-43)52-35/h21-36,43-50H,1,8-19H2,2-7H3/t21-,22?,23+,24+,25-,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36-,39-,40+,41+,42-/s2
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n/an/a 0.640n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced tissue factor procoagulant activity in human THP1 cells preincubated for 1 hr followed by LPS addition measured after 5 hrs...


Bioorg Med Chem Lett 27: 1026-1030 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.066
BindingDB Entry DOI: 10.7270/Q2B27XJD
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50235148
PNG
(CHEMBL4062123)
Show SMILES CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1/C36H58O10/c1-31(2)13-14-36(30(44)46-29-28(43)27(42)26(41)21(17-37)45-29)20(15-31)19-7-8-23-32(3)11-10-24(39)33(4,18-38)22(32)9-12-34(23,5)35(19,6)16-25(36)40/h7,20-29,37-43H,8-18H2,1-6H3/t20-,21+,22+,23+,24-,25+,26+,27-,28+,29-,32-,33+,34+,35+,36+/s2
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n/an/a 0.801n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced tissue factor procoagulant activity in human THP1 cells preincubated for 1 hr followed by LPS addition measured after 5 hrs...


Bioorg Med Chem Lett 27: 1026-1030 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.066
BindingDB Entry DOI: 10.7270/Q2B27XJD
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50235154
PNG
(CHEMBL4080417)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
Show InChI InChI=1/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27+,28+,29+,30-/s2
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n/an/a 1.30n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced tissue factor procoagulant activity in human THP1 cells preincubated for 1 hr followed by LPS addition measured after 5 hrs...


Bioorg Med Chem Lett 27: 1026-1030 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.066
BindingDB Entry DOI: 10.7270/Q2B27XJD
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50424066
PNG
(CHEMBL2314739)
Show SMILES COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC(=O)\C=C\c1ccccc1
Show InChI InChI=1/C28H25NO5/c1-31-24-9-8-19-13-23-21-15-26-25(32-17-33-26)14-20(21)11-12-29(23)16-22(19)28(24)34-27(30)10-7-18-5-3-2-4-6-18/h2-10,14-15,23H,11-13,16-17H2,1H3/b10-7+
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n/an/a 3.80n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Bioorg Med Chem 21: 62-9 (2012)


Article DOI: 10.1016/j.bmc.2012.11.002
BindingDB Entry DOI: 10.7270/Q2M32X22
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50246619
PNG
((4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-benzyl 10-hyd...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)OCc1ccccc1
Show InChI InChI=1/C37H54O3/c1-32(2)19-21-37(31(39)40-24-25-11-9-8-10-12-25)22-20-35(6)26(27(37)23-32)13-14-29-34(5)17-16-30(38)33(3,4)28(34)15-18-36(29,35)7/h8-13,27-30,38H,14-24H2,1-7H3/t27-,28-,29+,30-,34-,35+,36+,37-/s2
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n/an/a 4.70n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced tissue factor procoagulant activity in human THP1 cells preincubated for 1 hr followed by LPS addition measured after 5 hrs...


Bioorg Med Chem Lett 27: 1026-1030 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.066
BindingDB Entry DOI: 10.7270/Q2B27XJD
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50346601
PNG
(NSC-114945 | OLEANOLIC_ACID | Oleanolic acid | Ole...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
Show InChI InChI=1/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/s2
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n/an/a 5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced tissue factor procoagulant activity in human THP1 cells preincubated for 1 hr followed by LPS addition measured after 5 hrs...


Bioorg Med Chem Lett 27: 1026-1030 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.066
BindingDB Entry DOI: 10.7270/Q2B27XJD
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50235146
PNG
(CHEMBL4096910)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1/C36H58O9/c1-31(2)13-15-36(30(43)45-29-28(42)27(41)26(40)22(18-37)44-29)16-14-34(5)20(21(36)17-31)7-8-24-32(3)11-10-25(39)33(4,19-38)23(32)9-12-35(24,34)6/h7,21-29,37-42H,8-19H2,1-6H3/t21-,22+,23+,24+,25-,26+,27-,28+,29-,32-,33+,34+,35+,36-/s2
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n/an/a 6.5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced tissue factor procoagulant activity in human THP1 cells preincubated for 1 hr followed by LPS addition measured after 5 hrs...


Bioorg Med Chem Lett 27: 1026-1030 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.066
BindingDB Entry DOI: 10.7270/Q2B27XJD
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50424072
PNG
(CHEMBL2314733 | R-(+)-Tetrahydroberberrubine)
Show SMILES COc1ccc2C[C@H]3N(CCc4cc5OCOc5cc34)Cc2c1O
Show InChI InChI=1/C19H19NO4/c1-22-16-3-2-11-6-15-13-8-18-17(23-10-24-18)7-12(13)4-5-20(15)9-14(11)19(16)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/s2
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n/an/a 6.80n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Bioorg Med Chem 21: 62-9 (2012)


Article DOI: 10.1016/j.bmc.2012.11.002
BindingDB Entry DOI: 10.7270/Q2M32X22
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50203122
PNG
(5,8,13,13a-tetrahydro-9,10-dimethoxy-6H-benzo(g)-1...)
Show SMILES COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC
Show InChI InChI=1/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3
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n/an/a 8.40n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Bioorg Med Chem 21: 62-9 (2012)


Article DOI: 10.1016/j.bmc.2012.11.002
BindingDB Entry DOI: 10.7270/Q2M32X22
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50424063
PNG
(CHEMBL2314742)
Show SMILES COc1ccc2C[C@H]3N(CCc4cc5OCOc5cc34)Cc2c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1/C25H29NO9/c1-31-17-3-2-12-6-16-14-8-19-18(32-11-33-19)7-13(14)4-5-26(16)9-15(12)24(17)35-25-23(30)22(29)21(28)20(10-27)34-25/h2-3,7-8,16,20-23,25,27-30H,4-6,9-11H2,1H3/t16-,20-,21-,22+,23-,25+/s2
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n/an/a 8.80n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Bioorg Med Chem 21: 62-9 (2012)


Article DOI: 10.1016/j.bmc.2012.11.002
BindingDB Entry DOI: 10.7270/Q2M32X22
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50235144
PNG
(CHEMBL3343908)
Show SMILES CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1/C42H68O14/c1-37(2)14-15-42(36(52)56-35-33(51)31(49)29(47)23(19-44)54-35)21(16-37)20-8-9-25-39(5)12-11-27(55-34-32(50)30(48)28(46)22(18-43)53-34)38(3,4)24(39)10-13-40(25,6)41(20,7)17-26(42)45/h8,21-35,43-51H,9-19H2,1-7H3/t21-,22+,23+,24-,25+,26+,27-,28+,29+,30-,31-,32+,33+,34-,35-,39-,40+,41+,42+/s2
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n/an/a 9.60n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced tissue factor procoagulant activity in human THP1 cells preincubated for 1 hr followed by LPS addition measured after 5 hrs...


Bioorg Med Chem Lett 27: 1026-1030 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.066
BindingDB Entry DOI: 10.7270/Q2B27XJD
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50235143
PNG
(CHEMBL2386940)
Show SMILES CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1/C36H58O9/c1-31(2)14-15-36(30(43)45-29-28(42)27(41)26(40)21(18-37)44-29)20(16-31)19-8-9-23-33(5)12-11-24(38)32(3,4)22(33)10-13-34(23,6)35(19,7)17-25(36)39/h8,20-29,37-42H,9-18H2,1-7H3/t20-,21+,22-,23+,24-,25+,26+,27-,28+,29-,33-,34+,35+,36+/s2
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n/an/a 11n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced tissue factor procoagulant activity in human THP1 cells preincubated for 1 hr followed by LPS addition measured after 5 hrs...


Bioorg Med Chem Lett 27: 1026-1030 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.066
BindingDB Entry DOI: 10.7270/Q2B27XJD
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50424072
PNG
(CHEMBL2314733 | R-(+)-Tetrahydroberberrubine)
Show SMILES COc1ccc2C[C@H]3N(CCc4cc5OCOc5cc34)Cc2c1O
Show InChI InChI=1/C19H19NO4/c1-22-16-3-2-11-6-15-13-8-18-17(23-10-24-18)7-12(13)4-5-20(15)9-14(11)19(16)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/s2
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n/an/a 12n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Bioorg Med Chem 21: 62-9 (2012)


Article DOI: 10.1016/j.bmc.2012.11.002
BindingDB Entry DOI: 10.7270/Q2M32X22
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50424061
PNG
(CHEMBL2314744)
Show SMILES COc1cc2CCN3Cc4c(C[C@@H]3c2cc1OC)ccc(OC)c4O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1/C26H33NO9/c1-32-18-5-4-13-8-17-15-10-20(34-3)19(33-2)9-14(15)6-7-27(17)11-16(13)25(18)36-26-24(31)23(30)22(29)21(12-28)35-26/h4-5,9-10,17,21-24,26,28-31H,6-8,11-12H2,1-3H3/t17-,21-,22-,23+,24-,26+/s2
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n/an/a 13n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Bioorg Med Chem 21: 62-9 (2012)


Article DOI: 10.1016/j.bmc.2012.11.002
BindingDB Entry DOI: 10.7270/Q2M32X22
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50140172
PNG
(CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Tab...)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
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n/an/a 13n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced tissue factor procoagulant activity in human THP1 cells preincubated for 1 hr followed by LPS addition measured after 5 hrs...


Bioorg Med Chem Lett 27: 1026-1030 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.066
BindingDB Entry DOI: 10.7270/Q2B27XJD
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50170666
PNG
(2,3,9,10-Tetramethoxy-5,8,13,13a-tetrahydro-6H-iso...)
Show SMILES COc1cc2CCN3Cc4c(CC3c2cc1OC)ccc(OC)c4OC
Show InChI InChI=1/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3
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n/an/a 15n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Bioorg Med Chem 21: 62-9 (2012)


Article DOI: 10.1016/j.bmc.2012.11.002
BindingDB Entry DOI: 10.7270/Q2M32X22
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50235145
PNG
(CHEMBL3343919)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1/C42H68O13/c1-37(2)14-16-42(36(51)55-35-33(50)31(48)29(46)24(20-44)53-35)17-15-40(6)21(22(42)18-37)8-9-26-39(5)12-11-27(38(3,4)25(39)10-13-41(26,40)7)54-34-32(49)30(47)28(45)23(19-43)52-34/h8,22-35,43-50H,9-20H2,1-7H3/t22-,23+,24+,25-,26+,27-,28+,29+,30-,31-,32+,33+,34-,35-,39-,40+,41+,42-/s2
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n/an/a 16n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced tissue factor procoagulant activity in human THP1 cells preincubated for 1 hr followed by LPS addition measured after 5 hrs...


Bioorg Med Chem Lett 27: 1026-1030 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.066
BindingDB Entry DOI: 10.7270/Q2B27XJD
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50424062
PNG
(CHEMBL2314743)
Show SMILES COc1cc2CCN3Cc4c(C[C@H]3c2cc1OC)ccc(OC)c4O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1/C26H33NO9/c1-32-18-5-4-13-8-17-15-10-20(34-3)19(33-2)9-14(15)6-7-27(17)11-16(13)25(18)36-26-24(31)23(30)22(29)21(12-28)35-26/h4-5,9-10,17,21-24,26,28-31H,6-8,11-12H2,1-3H3/t17-,21+,22+,23-,24+,26-/s2
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n/an/a 17n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Bioorg Med Chem 21: 62-9 (2012)


Article DOI: 10.1016/j.bmc.2012.11.002
BindingDB Entry DOI: 10.7270/Q2M32X22
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+
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n/an/a 20n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of IL-1-beta-induced tissue factor activity in HUVEC preincubated for 4 hrs assessed after 4 hrs of IL1-beta challenge by one stage clotti...


J Biol Chem 282: 28408-18 (2007)


Article DOI: 10.1074/jbc.M703586200
BindingDB Entry DOI: 10.7270/Q2RJ4KCF
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+
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n/an/a 20n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced tissue factor activity in HUVEC preincubated for 4 hrs assessed after 4 hrs of LPS challenge by one stage clotting assay


J Biol Chem 282: 28408-18 (2007)


Article DOI: 10.1074/jbc.M703586200
BindingDB Entry DOI: 10.7270/Q2RJ4KCF
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+
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n/an/a 20n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of HOSCN-induced tissue factor activity in HUVEC preincubated for 4 hrs assessed after 4 hrs of HOSCN challenge by one stage clotting assa...


J Biol Chem 282: 28408-18 (2007)


Article DOI: 10.1074/jbc.M703586200
BindingDB Entry DOI: 10.7270/Q2RJ4KCF
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50424077
PNG
((-)-Tetrahydropalmatine | L-Tetrahydropalmatine | ...)
Show SMILES COc1cc2CCN3Cc4c(C[C@H]3c2cc1OC)ccc(OC)c4OC
Show InChI InChI=1/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3/t17-/s2
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n/an/a 23n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Bioorg Med Chem 21: 62-9 (2012)


Article DOI: 10.1016/j.bmc.2012.11.002
BindingDB Entry DOI: 10.7270/Q2M32X22
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+
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n/an/a 30n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced tissue factor activity in HUVEC preincubated for 4 hrs assessed after 4 hrs of TNFalpha challenge by one stage clotti...


J Biol Chem 282: 28408-18 (2007)


Article DOI: 10.1074/jbc.M703586200
BindingDB Entry DOI: 10.7270/Q2RJ4KCF
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50424073
PNG
(CHEMBL2314732)
Show SMILES COc1ccc2C[C@@H]3N(CCc4cc5OCOc5cc34)Cc2c1O
Show InChI InChI=1/C19H19NO4/c1-22-16-3-2-11-6-15-13-8-18-17(23-10-24-18)7-12(13)4-5-20(15)9-14(11)19(16)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/s2
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n/an/a 36n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Bioorg Med Chem 21: 62-9 (2012)


Article DOI: 10.1016/j.bmc.2012.11.002
BindingDB Entry DOI: 10.7270/Q2M32X22
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50424064
PNG
(CHEMBL2314741)
Show SMILES COc1ccc2C[C@@H]3N(CCc4cc5OCOc5cc34)Cc2c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1/C25H29NO9/c1-31-17-3-2-12-6-16-14-8-19-18(32-11-33-19)7-13(14)4-5-26(16)9-15(12)24(17)35-25-23(30)22(29)21(28)20(10-27)34-25/h2-3,7-8,16,20-23,25,27-30H,4-6,9-11H2,1H3/t16-,20+,21+,22-,23+,25-/s2
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n/an/a 39n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Bioorg Med Chem 21: 62-9 (2012)


Article DOI: 10.1016/j.bmc.2012.11.002
BindingDB Entry DOI: 10.7270/Q2M32X22
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+
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n/an/a 50n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced tissue factor activity in human PBMC preincubated for 4 hrs assessed after 5 hrs of LPS challenge by one stage clotting ass...


J Biol Chem 282: 28408-18 (2007)


Article DOI: 10.1074/jbc.M703586200
BindingDB Entry DOI: 10.7270/Q2RJ4KCF
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM19130
PNG
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)
Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C
Show InChI InChI=1/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)/b10-5+,13-11+
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n/an/a 50n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of IL-1-beta-induced tissue factor activity in human PBMC preincubated for 4 hrs assessed after 5 hrs of IL1-beta challenge by one stage c...


J Biol Chem 282: 28408-18 (2007)


Article DOI: 10.1074/jbc.M703586200
BindingDB Entry DOI: 10.7270/Q2RJ4KCF
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50424071
PNG
(CHEMBL2314734)
Show SMILES COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC(C)=O
Show InChI InChI=1/C21H21NO5/c1-12(23)27-21-16-10-22-6-5-14-8-19-20(26-11-25-19)9-15(14)17(22)7-13(16)3-4-18(21)24-2/h3-4,8-9,17H,5-7,10-11H2,1-2H3
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n/an/a 63n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Bioorg Med Chem 21: 62-9 (2012)


Article DOI: 10.1016/j.bmc.2012.11.002
BindingDB Entry DOI: 10.7270/Q2M32X22
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50378584
PNG
(STEPHOLIDINE)
Show SMILES COc1cc2CCN3Cc4c(C[C@H]3c2cc1O)ccc(O)c4OC
Show InChI InChI=1/C19H21NO4/c1-23-18-8-12-5-6-20-10-14-11(3-4-16(21)19(14)24-2)7-15(20)13(12)9-17(18)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/s2
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n/an/a 105n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Bioorg Med Chem 21: 62-9 (2012)


Article DOI: 10.1016/j.bmc.2012.11.002
BindingDB Entry DOI: 10.7270/Q2M32X22
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50424070
PNG
(CHEMBL2314735)
Show SMILES CCC(=O)Oc1c(OC)ccc2CC3N(CCc4cc5OCOc5cc34)Cc12
Show InChI InChI=1/C22H23NO5/c1-3-21(24)28-22-16-11-23-7-6-14-9-19-20(27-12-26-19)10-15(14)17(23)8-13(16)4-5-18(22)25-2/h4-5,9-10,17H,3,6-8,11-12H2,1-2H3
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n/an/a 119n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Bioorg Med Chem 21: 62-9 (2012)


Article DOI: 10.1016/j.bmc.2012.11.002
BindingDB Entry DOI: 10.7270/Q2M32X22
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50238632
PNG
((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/s2
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n/an/a 150n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced tissue factor activity in HUVEC preincubated for 4 hrs assessed after 4 hrs of LPS challenge by one stage clotting assay


J Biol Chem 282: 28408-18 (2007)


Article DOI: 10.1074/jbc.M703586200
BindingDB Entry DOI: 10.7270/Q2RJ4KCF
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50424075
PNG
((-)-Corydalmine | CHEMBL448891)
Show SMILES COc1cc2CCN3Cc4c(C[C@H]3c2cc1OC)ccc(O)c4OC
Show InChI InChI=1/C20H23NO4/c1-23-18-9-13-6-7-21-11-15-12(4-5-17(22)20(15)25-3)8-16(21)14(13)10-19(18)24-2/h4-5,9-10,16,22H,6-8,11H2,1-3H3/t16-/s2
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n/an/a 152n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Bioorg Med Chem 21: 62-9 (2012)


Article DOI: 10.1016/j.bmc.2012.11.002
BindingDB Entry DOI: 10.7270/Q2M32X22
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50424076
PNG
(CHEMBL2314745)
Show SMILES COc1ccc2CC3N(CCc4cc(OC)c(OC)cc34)Cc2c1O
Show InChI InChI=1/C20H23NO4/c1-23-17-5-4-12-8-16-14-10-19(25-3)18(24-2)9-13(14)6-7-21(16)11-15(12)20(17)22/h4-5,9-10,16,22H,6-8,11H2,1-3H3
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n/an/a 187n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Bioorg Med Chem 21: 62-9 (2012)


Article DOI: 10.1016/j.bmc.2012.11.002
BindingDB Entry DOI: 10.7270/Q2M32X22
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50067040
PNG
(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
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n/an/a 200n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Bioorg Med Chem 21: 62-9 (2012)


Article DOI: 10.1016/j.bmc.2012.11.002
BindingDB Entry DOI: 10.7270/Q2M32X22
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50238632
PNG
((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O
Show InChI InChI=1/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/s2
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n/an/a 200n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha-induced tissue factor activity in HUVEC preincubated for 4 hrs assessed after 4 hrs of TNFalpha challenge by one stage clotti...


J Biol Chem 282: 28408-18 (2007)


Article DOI: 10.1074/jbc.M703586200
BindingDB Entry DOI: 10.7270/Q2RJ4KCF
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50424065
PNG
(CHEMBL2314740)
Show SMILES COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC(=O)\C=C\c1ccc(OC(C)=O)c(OC)c1
Show InChI InChI=1/C31H29NO8/c1-18(33)39-25-7-4-19(12-27(25)36-3)5-9-30(34)40-31-23-16-32-11-10-21-14-28-29(38-17-37-28)15-22(21)24(32)13-20(23)6-8-26(31)35-2/h4-9,12,14-15,24H,10-11,13,16-17H2,1-3H3/b9-5+
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n/an/a 202n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Bioorg Med Chem 21: 62-9 (2012)


Article DOI: 10.1016/j.bmc.2012.11.002
BindingDB Entry DOI: 10.7270/Q2M32X22
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50424068
PNG
(CHEMBL2314737)
Show SMILES COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC(=O)c1ccccc1
Show InChI InChI=1/C26H23NO5/c1-29-22-8-7-17-11-21-19-13-24-23(30-15-31-24)12-18(19)9-10-27(21)14-20(17)25(22)32-26(28)16-5-3-2-4-6-16/h2-8,12-13,21H,9-11,14-15H2,1H3
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n/an/a 377n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Bioorg Med Chem 21: 62-9 (2012)


Article DOI: 10.1016/j.bmc.2012.11.002
BindingDB Entry DOI: 10.7270/Q2M32X22
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens (Human))
BDBM50424067
PNG
(CHEMBL2314738)
Show SMILES COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC(=O)c1ccccc1OC(C)=O
Show InChI InChI=1/C28H25NO7/c1-16(30)35-23-6-4-3-5-19(23)28(31)36-27-21-14-29-10-9-18-12-25-26(34-15-33-25)13-20(18)22(29)11-17(21)7-8-24(27)32-2/h3-8,12-13,22H,9-11,14-15H2,1-2H3
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n/an/a 555n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs


Bioorg Med Chem 21: 62-9 (2012)


Article DOI: 10.1016/j.bmc.2012.11.002
BindingDB Entry DOI: 10.7270/Q2M32X22
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Ligand-Target Pair
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