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Compile Data Set for Download or QSAR

Found 19 hits with Last Name = 'wang' and Initial = 'ww'   
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))
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))
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))
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))
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))
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))
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))
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