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Compile Data Set for Download or QSAR

Found 41 hits with Last Name = 'yu' and Initial = 'by'   
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/tissue factor


(Homo sapiens (Human))
BDBM50235149
PNG
(CHEMBL4066780)
Show SMILES [H][C@@]12[C@@H](CC[C@@]1(CC[C@]1(C)C2CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](C)(CO)[C@]3([H])CC[C@@]12C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)=C |r|
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n/an/a 0.0280n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL




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


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


(Homo sapiens (Human))
BDBM50235153
PNG
(CHEBI:67985 | CHEMBL510111)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:15|
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n/an/a 0.0350n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL




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


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


(Homo sapiens (Human))
BDBM50235152
PNG
(CHEBI:4747 | CHEMBL230128)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1([C@H](O)C[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |t:16|
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n/an/a 0.0540n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL




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


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


(Homo sapiens (Human))
BDBM50235142
PNG
(CHEMBL4070749)
Show SMILES [H][C@@]12[C@@H](CC[C@@]1(CC[C@]1(C)C2CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)=C |r|
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n/an/a 0.0780n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL




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


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


(Homo sapiens (Human))
BDBM50235147
PNG
(VITALBOSIDE A | Vitalboside A)
Show SMILES [H][C@@]1(O[C@H]2CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])CC=C3[C@]5([H])CC(C)(C)CC[C@@]5(CC[C@@]43C)C(O)=O)C2(C)C)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:18|
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n/an/a 0.0950n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL




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


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


(Homo sapiens (Human))
BDBM50442880
PNG
(4-Epi-Hederagenin | HEDERAGENIN | Hederagenin)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](C)(CO)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:15|
Show InChI InChI=1S/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-/m0/s1
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n/an/a 0.221n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL




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


Article DOI: 10.1016/j.bmcl.2016.12.066
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 |r,c:10|
Show InChI InChI=1S/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-/m0/s1
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n/an/a 0.221n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL




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


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


(Homo sapiens (Human))
BDBM50234590
PNG
(CHEMBL4092579)
Show SMILES [H][C@@]12[C@@H](CC[C@@]1(CC[C@]1(C)C2CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](C)(CO)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)=C |r|
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n/an/a 0.221n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL




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


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


(Homo sapiens (Human))
BDBM50235150
PNG
(CHEBI:67947 | CHEMBL1910843)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@@](C)(CO)[C@]3([H])CC[C@@]12C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:15|
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n/an/a 0.280n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL




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


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


(Homo sapiens (Human))
BDBM50235151
PNG
(CHEMBL4064877)
Show SMILES [H][C@@]12[C@@H](CC[C@@]1(CC[C@]1(C)C2CC[C@]2([H])[C@@]3(C)CC[C@H](O[C@]4([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)=C |r|
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n/an/a 0.640n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL




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


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


(Homo sapiens (Human))
BDBM50235148
PNG
(CHEMBL4062123)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1([C@H](O)C[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@](C)(CO)[C@]3([H])CC[C@@]12C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:16|
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n/an/a 0.801n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL




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


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


(Homo sapiens (Human))
BDBM50235154
PNG
(CHEMBL4080417)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@](C)(CO)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:15|
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n/an/a 1.30n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL




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


Article DOI: 10.1016/j.bmcl.2016.12.066
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=1S/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 |r,c:10|
Show InChI InChI=1S/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-/m0/s1
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n/an/a 4.70n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL




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


Article DOI: 10.1016/j.bmcl.2016.12.066
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 |r,c:10|
Show InChI InChI=1S/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-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL




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


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


(Homo sapiens (Human))
BDBM50235146
PNG
(CHEMBL4096910)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)[C@](C)(CO)[C@]3([H])CC[C@@]12C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:15|
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n/an/a 6.5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL




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


Article DOI: 10.1016/j.bmcl.2016.12.066
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 |r|
Show InChI InChI=1S/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-/m1/s1
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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=1S/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 |r|
Show InChI InChI=1S/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+/m1/s1
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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 [H][C@@]1(CC[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])CC=C2[C@]4([H])CC(C)(C)CC[C@@]4([C@H](O)C[C@@]32C)C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:16|
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n/an/a 9.60n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL




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


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


(Homo sapiens (Human))
BDBM50235143
PNG
(CHEMBL2386940)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1([C@H](O)C[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:16|
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n/an/a 11n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL




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


Article DOI: 10.1016/j.bmcl.2016.12.066
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 |r|
Show InChI InChI=1S/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-/m1/s1
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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))
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




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


Article DOI: 10.1016/j.bmcl.2016.12.066
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 |r|
Show InChI InChI=1S/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+/m1/s1
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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))
BDBM50170666
PNG
(2,3,9,10-Tetramethoxy-5,8,13,13a-tetrahydro-6H-iso...)
Show SMILES COc1cc2CCN3Cc4c(CC3c2cc1OC)ccc(OC)c4OC
Show InChI InChI=1S/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 [H][C@@]1(CC[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])CC=C2[C@]4([H])CC(C)(C)CC[C@@]4(CC[C@@]32C)C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:16|
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n/an/a 16n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL




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


Article DOI: 10.1016/j.bmcl.2016.12.066
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 |r|
Show InChI InChI=1S/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-/m0/s1
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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))
BDBM50424077
PNG
((-)-Tetrahydropalmatine | L-Tetrahydropalmatine | ...)
Show SMILES COc1cc2CCN3Cc4c(C[C@H]3c2cc1OC)ccc(OC)c4OC |r|
Show InChI InChI=1S/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-/m0/s1
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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))
BDBM50424073
PNG
(CHEMBL2314732)
Show SMILES COc1ccc2C[C@@H]3N(CCc4cc5OCOc5cc34)Cc2c1O |r|
Show InChI InChI=1S/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-/m0/s1
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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 |r|
Show InChI InChI=1S/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-/m0/s1
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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))
BDBM50424071
PNG
(CHEMBL2314734)
Show SMILES COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC(C)=O
Show InChI InChI=1S/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 |r|
Show InChI InChI=1S/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-/m0/s1
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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=1S/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))
BDBM50424075
PNG
((-)-Corydalmine | CHEMBL448891)
Show SMILES COc1cc2CCN3Cc4c(C[C@H]3c2cc1OC)ccc(O)c4OC |r|
Show InChI InChI=1S/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-/m0/s1
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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=1S/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 |w:12.11,5.4|
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
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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))
BDBM50424065
PNG
(CHEMBL2314740)
Show SMILES COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC(=O)\C=C\c1ccc(OC(C)=O)c(OC)c1
Show InChI InChI=1S/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=1S/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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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=1S/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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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))
BDBM50424074
PNG
(CHEMBL2314747)
Show SMILES COc1ccc2CC3N(CCc4cc(O)c(O)cc34)Cc2c1OC
Show InChI InChI=1S/C19H21NO4/c1-23-18-4-3-11-7-15-13-9-17(22)16(21)8-12(13)5-6-20(15)10-14(11)19(18)24-2/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 969n/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))
BDBM50424069
PNG
(CHEMBL2314736)
Show SMILES CCCCCC(=O)Oc1c(OC)ccc2CC3N(CCc4cc5OCOc5cc34)Cc12
Show InChI InChI=1S/C25H29NO5/c1-3-4-5-6-24(27)31-25-19-14-26-10-9-17-12-22-23(30-15-29-22)13-18(17)20(26)11-16(19)7-8-21(25)28-2/h7-8,12-13,20H,3-6,9-11,14-15H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+3n/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