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Compile Data Set for Download or QSAR

Found 125 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 VIII


(Homo sapiens (Human))
BDBM59164
PNG
(8048422)
Show SMILES [O-]C(=O)c1cc(ccc1Cl)-c1ccc(C=C2C(=O)NC(=S)NC2=O)o1
Show InChI InChI=1S/C16H9ClN2O5S/c17-11-3-1-7(5-9(11)15(22)23)12-4-2-8(24-12)6-10-13(20)18-16(25)19-14(10)21/h1-6H,(H,22,23)(H2,18,19,20,21,25)/p-1
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PubMed
n/an/a 6.70E+3n/an/an/an/a7.9n/a



University of Washington



Assay Description
Inhibition of factor X activation assay. A commercially available chromogenic assay that measures the rate of factor X activation to measure inhibit...


Chem Biol 11: 1413-22 (2004)


Article DOI: 10.1016/j.chembiol.2004.08.006
BindingDB Entry DOI: 10.7270/Q29W0CX1
More data for this
Ligand-Target Pair
Coagulation Factor VIII


(Homo sapiens (Human))
BDBM59159
PNG
(6190013)
Show SMILES [O-][N+](=O)c1cc(Cl)c(cc1Cl)-c1ccc(C=C2C(=O)NC(=S)NC2=O)o1
Show InChI InChI=1S/C15H7Cl2N3O5S/c16-9-5-11(20(23)24)10(17)4-7(9)12-2-1-6(25-12)3-8-13(21)18-15(26)19-14(8)22/h1-5H,(H2,18,19,21,22,26)
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n/an/a 7.50E+3n/an/an/an/a7.9n/a



University of Washington



Assay Description
Inhibition of factor X activation assay. A commercially available chromogenic assay that measures the rate of factor X activation to measure inhibit...


Chem Biol 11: 1413-22 (2004)


Article DOI: 10.1016/j.chembiol.2004.08.006
BindingDB Entry DOI: 10.7270/Q29W0CX1
More data for this
Ligand-Target Pair
Coagulation Factor VIII


(Homo sapiens (Human))
BDBM59163
PNG
(6789536)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1C(=S)S\C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C1=O
Show InChI InChI=1S/C20H11ClN2O4S3/c21-12-1-8-16(9-2-12)29-18-10-7-15(27-18)11-17-19(24)22(20(28)30-17)13-3-5-14(6-4-13)23(25)26/h1-11H/b17-11+
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n/an/a 5.60E+3n/an/an/an/a7.9n/a



University of Washington



Assay Description
Inhibition of factor X activation assay. A commercially available chromogenic assay that measures the rate of factor X activation to measure inhibit...


Chem Biol 11: 1413-22 (2004)


Article DOI: 10.1016/j.chembiol.2004.08.006
BindingDB Entry DOI: 10.7270/Q29W0CX1
More data for this
Ligand-Target Pair
Coagulation Factor VIII


(Homo sapiens (Human))
BDBM59154
PNG
(5739991)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1C(=S)S\C(=C/c2ccc(Br)o2)C1=O
Show InChI InChI=1S/C14H7BrN2O4S2/c15-12-6-5-10(21-12)7-11-13(18)16(14(22)23-11)8-1-3-9(4-2-8)17(19)20/h1-7H/b11-7-
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n/an/a 1.17E+4n/an/an/an/a7.9n/a



University of Washington



Assay Description
Inhibition of factor X activation assay. A commercially available chromogenic assay that measures the rate of factor X activation to measure inhibit...


Chem Biol 11: 1413-22 (2004)


Article DOI: 10.1016/j.chembiol.2004.08.006
BindingDB Entry DOI: 10.7270/Q29W0CX1
More data for this
Ligand-Target Pair
Coagulation Factor VIII


(Homo sapiens (Human))
BDBM59162
PNG
(8047577)
Show SMILES FC(F)(F)c1cccc(c1)N1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Cl)cc2Cl)C1=O
Show InChI InChI=1S/C21H10Cl2F3NO2S2/c22-12-4-6-15(16(23)9-12)17-7-5-14(29-17)10-18-19(28)27(20(30)31-18)13-3-1-2-11(8-13)21(24,25)26/h1-10H/b18-10-
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n/an/a 2.10E+3n/an/an/an/a7.9n/a



University of Washington



Assay Description
Inhibition of factor X activation assay. A commercially available chromogenic assay that measures the rate of factor X activation to measure inhibit...


Chem Biol 11: 1413-22 (2004)


Article DOI: 10.1016/j.chembiol.2004.08.006
BindingDB Entry DOI: 10.7270/Q29W0CX1
More data for this
Ligand-Target Pair
Coagulation Factor VIII


(Homo sapiens (Human))
BDBM59161
PNG
(5738875)
Show SMILES FC(F)(F)c1cccc(c1)N1C(=S)S\C(=C/c2ccc(I)o2)C1=O
Show InChI InChI=1S/C15H7F3INO2S2/c16-15(17,18)8-2-1-3-9(6-8)20-13(21)11(24-14(20)23)7-10-4-5-12(19)22-10/h1-7H/b11-7-
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n/an/a 5.00E+3n/an/an/an/a7.9n/a



University of Washington



Assay Description
Inhibition of factor X activation assay. A commercially available chromogenic assay that measures the rate of factor X activation to measure inhibit...


Chem Biol 11: 1413-22 (2004)


Article DOI: 10.1016/j.chembiol.2004.08.006
BindingDB Entry DOI: 10.7270/Q29W0CX1
More data for this
Ligand-Target Pair
Coagulation Factor VIII


(Homo sapiens (Human))
BDBM59153
PNG
(5737176)
Show SMILES FC(F)(F)c1cccc(c1)N1C(=S)S\C(=C/c2ccc(Br)o2)C1=O
Show InChI InChI=1S/C15H7BrF3NO2S2/c16-12-5-4-10(22-12)7-11-13(21)20(14(23)24-11)9-3-1-2-8(6-9)15(17,18)19/h1-7H/b11-7-
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n/an/a 8.50E+3n/an/an/an/a7.9n/a



University of Washington



Assay Description
Inhibition of factor X activation assay. A commercially available chromogenic assay that measures the rate of factor X activation to measure inhibit...


Chem Biol 11: 1413-22 (2004)


Article DOI: 10.1016/j.chembiol.2004.08.006
BindingDB Entry DOI: 10.7270/Q29W0CX1
More data for this
Ligand-Target Pair
Coagulation Factor VIII


(Homo sapiens (Human))
BDBM59165
PNG
(8056354)
Show SMILES [O-]C(=O)c1cccc(-c2ccc(C=C3C(=O)NC(=S)NC3=O)o2)c1Cl
Show InChI InChI=1S/C16H9ClN2O5S/c17-12-8(2-1-3-9(12)15(22)23)11-5-4-7(24-11)6-10-13(20)18-16(25)19-14(10)21/h1-6H,(H,22,23)(H2,18,19,20,21,25)/p-1
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n/an/a 6.80E+3n/an/an/an/a7.9n/a



University of Washington



Assay Description
Inhibition of factor X activation assay. A commercially available chromogenic assay that measures the rate of factor X activation to measure inhibit...


Chem Biol 11: 1413-22 (2004)


Article DOI: 10.1016/j.chembiol.2004.08.006
BindingDB Entry DOI: 10.7270/Q29W0CX1
More data for this
Ligand-Target Pair
Coagulation Factor VIII


(Homo sapiens (Human))
BDBM59165
PNG
(8056354)
Show SMILES [O-]C(=O)c1cccc(-c2ccc(C=C3C(=O)NC(=S)NC3=O)o2)c1Cl
Show InChI InChI=1S/C16H9ClN2O5S/c17-12-8(2-1-3-9(12)15(22)23)11-5-4-7(24-11)6-10-13(20)18-16(25)19-14(10)21/h1-6H,(H,22,23)(H2,18,19,20,21,25)/p-1
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n/an/a 6.51E+3n/an/an/an/a8.0n/a



University of Washington



Assay Description
Inhibition of factor VIII ELISA. The interaction between factor VIII and PS was measured by using an enzyme-linked immunoadsorbent assay (ELISA).


Chem Biol 11: 1413-22 (2004)


Article DOI: 10.1016/j.chembiol.2004.08.006
BindingDB Entry DOI: 10.7270/Q29W0CX1
More data for this
Ligand-Target Pair
Coagulation Factor VIII


(Homo sapiens (Human))
BDBM59164
PNG
(8048422)
Show SMILES [O-]C(=O)c1cc(ccc1Cl)-c1ccc(C=C2C(=O)NC(=S)NC2=O)o1
Show InChI InChI=1S/C16H9ClN2O5S/c17-11-3-1-7(5-9(11)15(22)23)12-4-2-8(24-12)6-10-13(20)18-16(25)19-14(10)21/h1-6H,(H,22,23)(H2,18,19,20,21,25)/p-1
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n/an/a 3.89E+3n/an/an/an/a8.0n/a



University of Washington



Assay Description
Inhibition of factor VIII ELISA. The interaction between factor VIII and PS was measured by using an enzyme-linked immunoadsorbent assay (ELISA).


Chem Biol 11: 1413-22 (2004)


Article DOI: 10.1016/j.chembiol.2004.08.006
BindingDB Entry DOI: 10.7270/Q29W0CX1
More data for this
Ligand-Target Pair
Coagulation Factor VIII


(Homo sapiens (Human))
BDBM59159
PNG
(6190013)
Show SMILES [O-][N+](=O)c1cc(Cl)c(cc1Cl)-c1ccc(C=C2C(=O)NC(=S)NC2=O)o1
Show InChI InChI=1S/C15H7Cl2N3O5S/c16-9-5-11(20(23)24)10(17)4-7(9)12-2-1-6(25-12)3-8-13(21)18-15(26)19-14(8)22/h1-5H,(H2,18,19,21,22,26)
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n/an/a 2.11E+3n/an/an/an/a8.0n/a



University of Washington



Assay Description
Inhibition of factor VIII ELISA. The interaction between factor VIII and PS was measured by using an enzyme-linked immunoadsorbent assay (ELISA).


Chem Biol 11: 1413-22 (2004)


Article DOI: 10.1016/j.chembiol.2004.08.006
BindingDB Entry DOI: 10.7270/Q29W0CX1
More data for this
Ligand-Target Pair
Coagulation Factor VIII


(Homo sapiens (Human))
BDBM59163
PNG
(6789536)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1C(=S)S\C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C1=O
Show InChI InChI=1S/C20H11ClN2O4S3/c21-12-1-8-16(9-2-12)29-18-10-7-15(27-18)11-17-19(24)22(20(28)30-17)13-3-5-14(6-4-13)23(25)26/h1-11H/b17-11+
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n/an/a 4.81E+3n/an/an/an/a8.0n/a



University of Washington



Assay Description
Inhibition of factor VIII ELISA. The interaction between factor VIII and PS was measured by using an enzyme-linked immunoadsorbent assay (ELISA).


Chem Biol 11: 1413-22 (2004)


Article DOI: 10.1016/j.chembiol.2004.08.006
BindingDB Entry DOI: 10.7270/Q29W0CX1
More data for this
Ligand-Target Pair
Coagulation Factor VIII


(Homo sapiens (Human))
BDBM59154
PNG
(5739991)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1C(=S)S\C(=C/c2ccc(Br)o2)C1=O
Show InChI InChI=1S/C14H7BrN2O4S2/c15-12-6-5-10(21-12)7-11-13(18)16(14(22)23-11)8-1-3-9(4-2-8)17(19)20/h1-7H/b11-7-
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n/an/a 1.04E+4n/an/an/an/a8.0n/a



University of Washington



Assay Description
Inhibition of factor VIII ELISA. The interaction between factor VIII and PS was measured by using an enzyme-linked immunoadsorbent assay (ELISA).


Chem Biol 11: 1413-22 (2004)


Article DOI: 10.1016/j.chembiol.2004.08.006
BindingDB Entry DOI: 10.7270/Q29W0CX1
More data for this
Ligand-Target Pair
Coagulation Factor VIII


(Homo sapiens (Human))
BDBM59162
PNG
(8047577)
Show SMILES FC(F)(F)c1cccc(c1)N1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Cl)cc2Cl)C1=O
Show InChI InChI=1S/C21H10Cl2F3NO2S2/c22-12-4-6-15(16(23)9-12)17-7-5-14(29-17)10-18-19(28)27(20(30)31-18)13-3-1-2-11(8-13)21(24,25)26/h1-10H/b18-10-
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n/an/a 2.56E+3n/an/an/an/a8.0n/a



University of Washington



Assay Description
Inhibition of factor VIII ELISA. The interaction between factor VIII and PS was measured by using an enzyme-linked immunoadsorbent assay (ELISA).


Chem Biol 11: 1413-22 (2004)


Article DOI: 10.1016/j.chembiol.2004.08.006
BindingDB Entry DOI: 10.7270/Q29W0CX1
More data for this
Ligand-Target Pair
Coagulation Factor VIII


(Homo sapiens (Human))
BDBM59153
PNG
(5737176)
Show SMILES FC(F)(F)c1cccc(c1)N1C(=S)S\C(=C/c2ccc(Br)o2)C1=O
Show InChI InChI=1S/C15H7BrF3NO2S2/c16-12-5-4-10(22-12)7-11-13(21)20(14(23)24-11)9-3-1-2-8(6-9)15(17,18)19/h1-7H/b11-7-
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n/an/a 9.25E+3n/an/an/an/a8.0n/a



University of Washington



Assay Description
Inhibition of factor VIII ELISA. The interaction between factor VIII and PS was measured by using an enzyme-linked immunoadsorbent assay (ELISA).


Chem Biol 11: 1413-22 (2004)


Article DOI: 10.1016/j.chembiol.2004.08.006
BindingDB Entry DOI: 10.7270/Q29W0CX1
More data for this
Ligand-Target Pair
Coagulation Factor VIII


(Homo sapiens (Human))
BDBM59161
PNG
(5738875)
Show SMILES FC(F)(F)c1cccc(c1)N1C(=S)S\C(=C/c2ccc(I)o2)C1=O
Show InChI InChI=1S/C15H7F3INO2S2/c16-15(17,18)8-2-1-3-9(6-8)20-13(21)11(24-14(20)23)7-10-4-5-12(19)22-10/h1-7H/b11-7-
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n/an/a 6.83E+3n/an/an/an/a8.0n/a



University of Washington



Assay Description
Inhibition of factor VIII ELISA. The interaction between factor VIII and PS was measured by using an enzyme-linked immunoadsorbent assay (ELISA).


Chem Biol 11: 1413-22 (2004)


Article DOI: 10.1016/j.chembiol.2004.08.006
BindingDB Entry DOI: 10.7270/Q29W0CX1
More data for this
Ligand-Target Pair
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=1S/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-;/m0./s1
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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=1S/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+/m0/s1
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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=1S/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+/m0/s1
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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 VIII


(Homo sapiens (Human))
BDBM50423622
PNG
(CHEMBL1614804)
Show SMILES O[C@@H](COc1ccc(Cl)cc1Cl)Cn1c2ccccc2n(CCN2CCCCC2)c1=N
Show InChI InChI=1S/C23H28Cl2N4O2/c24-17-8-9-22(19(25)14-17)31-16-18(30)15-29-21-7-3-2-6-20(21)28(23(29)26)13-12-27-10-4-1-5-11-27/h2-3,6-9,14,18,26,30H,1,4-5,10-13,15-16H2/t18-/m1/s1
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n/an/a 7.80E+3n/an/an/an/an/an/a



Maastricht University

Curated by ChEMBL


Assay Description
Inhibition of human factor 8 binding to immobilized phospholipid by surface plasmon resonance assay


Proc Natl Acad Sci USA 104: 12697-702 (2007)


Article DOI: 10.1073/pnas.0701051104
BindingDB Entry DOI: 10.7270/Q2F190MG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation Factor VIII


(Homo sapiens (Human))
BDBM59151
PNG
(5247489)
Show SMILES CC(C=Cc1ccco1)=NCCCCNC(=O)C=Cc1ccco1
Show InChI InChI=1S/C19H22N2O3/c1-16(8-9-17-6-4-14-23-17)20-12-2-3-13-21-19(22)11-10-18-7-5-15-24-18/h4-11,14-15H,2-3,12-13H2,1H3,(H,21,22)
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n/an/a 5.61E+4n/an/an/an/an/a37



University of Washington



Assay Description
Inhibition of factor VIII C2 domain.


Chem Biol 11: 1413-22 (2004)


Article DOI: 10.1016/j.chembiol.2004.08.006
BindingDB Entry DOI: 10.7270/Q29W0CX1
More data for this
Ligand-Target Pair
Coagulation Factor VIII


(Homo sapiens (Human))
BDBM59152
PNG
(5523453)
Show SMILES CCOC(=O)c1c(NC(=S)NC(=O)c2ccccc2)sc2CC(C)CCc12
Show InChI InChI=1S/C20H22N2O3S2/c1-3-25-19(24)16-14-10-9-12(2)11-15(14)27-18(16)22-20(26)21-17(23)13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3,(H2,21,22,23,26)
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n/an/a 2.77E+4n/an/an/an/an/a37



University of Washington



Assay Description
Inhibition of factor VIII C2 domain.


Chem Biol 11: 1413-22 (2004)


Article DOI: 10.1016/j.chembiol.2004.08.006
BindingDB Entry DOI: 10.7270/Q29W0CX1
More data for this
Ligand-Target Pair
Coagulation Factor VIII


(Homo sapiens (Human))
BDBM59153
PNG
(5737176)
Show SMILES FC(F)(F)c1cccc(c1)N1C(=S)S\C(=C/c2ccc(Br)o2)C1=O
Show InChI InChI=1S/C15H7BrF3NO2S2/c16-12-5-4-10(22-12)7-11-13(21)20(14(23)24-11)9-3-1-2-8(6-9)15(17,18)19/h1-7H/b11-7-
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n/an/a 6.66E+3n/an/an/an/an/a37



University of Washington



Assay Description
Inhibition of factor VIII C2 domain.


Chem Biol 11: 1413-22 (2004)


Article DOI: 10.1016/j.chembiol.2004.08.006
BindingDB Entry DOI: 10.7270/Q29W0CX1
More data for this
Ligand-Target Pair
Coagulation Factor VIII


(Homo sapiens (Human))
BDBM59154
PNG
(5739991)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1C(=S)S\C(=C/c2ccc(Br)o2)C1=O
Show InChI InChI=1S/C14H7BrN2O4S2/c15-12-6-5-10(21-12)7-11-13(18)16(14(22)23-11)8-1-3-9(4-2-8)17(19)20/h1-7H/b11-7-
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n/an/a 4.63E+3n/an/an/an/an/a37



University of Washington



Assay Description
Inhibition of factor VIII C2 domain.


Chem Biol 11: 1413-22 (2004)


Article DOI: 10.1016/j.chembiol.2004.08.006
BindingDB Entry DOI: 10.7270/Q29W0CX1
More data for this
Ligand-Target Pair
Coagulation Factor VIII


(Homo sapiens (Human))
BDBM59155
PNG
(5924029)
Show SMILES Fc1ccc(C=NNC(=N)NN=Cc2ccc(F)cc2)cc1
Show InChI InChI=1S/C15H13F2N5/c16-13-5-1-11(2-6-13)9-19-21-15(18)22-20-10-12-3-7-14(17)8-4-12/h1-10H,(H3,18,21,22)
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n/an/a 2.45E+4n/an/an/an/an/a37



University of Washington



Assay Description
Inhibition of factor VIII C2 domain.


Chem Biol 11: 1413-22 (2004)


Article DOI: 10.1016/j.chembiol.2004.08.006
BindingDB Entry DOI: 10.7270/Q29W0CX1
More data for this
Ligand-Target Pair
Coagulation Factor VIII


(Homo sapiens (Human))
BDBM59156
PNG
(6072484 | cid_726942)
Show SMILES CCOc1ccc(cc1)-c1cc(C)n2nc(cc2n1)C(N)=O
Show InChI InChI=1S/C16H16N4O2/c1-3-22-12-6-4-11(5-7-12)13-8-10(2)20-15(18-13)9-14(19-20)16(17)21/h4-9H,3H2,1-2H3,(H2,17,21)
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n/an/a 2.68E+4n/an/an/an/an/a37



University of Washington



Assay Description
Inhibition of factor VIII C2 domain.


Chem Biol 11: 1413-22 (2004)


Article DOI: 10.1016/j.chembiol.2004.08.006
BindingDB Entry DOI: 10.7270/Q29W0CX1
More data for this
Ligand-Target Pair
Coagulation Factor VIII


(Homo sapiens (Human))
BDBM59157
PNG
(6126765)
Show SMILES COc1cc(\C=C2\SC(=S)N(CC(=O)Nc3ccccn3)C2=O)cc(OC)c1OC
Show InChI InChI=1S/C20H19N3O5S2/c1-26-13-8-12(9-14(27-2)18(13)28-3)10-15-19(25)23(20(29)30-15)11-17(24)22-16-6-4-5-7-21-16/h4-10H,11H2,1-3H3,(H,21,22,24)/b15-10+
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n/an/a 1.19E+4n/an/an/an/an/a37



University of Washington



Assay Description
Inhibition of factor VIII C2 domain.


Chem Biol 11: 1413-22 (2004)


Article DOI: 10.1016/j.chembiol.2004.08.006
BindingDB Entry DOI: 10.7270/Q29W0CX1
More data for this
Ligand-Target Pair
Coagulation Factor VIII


(Homo sapiens (Human))
BDBM59158
PNG
(6168356)
Show SMILES CCOc1ccc(Cl)cc1\C=C1\SC(=S)N(CC)C1=O
Show InChI InChI=1S/C14H14ClNO2S2/c1-3-16-13(17)12(20-14(16)19)8-9-7-10(15)5-6-11(9)18-4-2/h5-8H,3-4H2,1-2H3/b12-8+
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n/an/a 4.96E+4n/an/an/an/an/a37



University of Washington



Assay Description
Inhibition of factor VIII C2 domain.


Chem Biol 11: 1413-22 (2004)


Article DOI: 10.1016/j.chembiol.2004.08.006
BindingDB Entry DOI: 10.7270/Q29W0CX1
More data for this
Ligand-Target Pair
Coagulation Factor VIII


(Homo sapiens (Human))
BDBM59159
PNG
(6190013)
Show SMILES [O-][N+](=O)c1cc(Cl)c(cc1Cl)-c1ccc(C=C2C(=O)NC(=S)NC2=O)o1
Show InChI InChI=1S/C15H7Cl2N3O5S/c16-9-5-11(20(23)24)10(17)4-7(9)12-2-1-6(25-12)3-8-13(21)18-15(26)19-14(8)22/h1-5H,(H2,18,19,21,22,26)
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n/an/a 8.48E+3n/an/an/an/an/a37



University of Washington



Assay Description
Inhibition of factor VIII C2 domain.


Chem Biol 11: 1413-22 (2004)


Article DOI: 10.1016/j.chembiol.2004.08.006
BindingDB Entry DOI: 10.7270/Q29W0CX1
More data for this
Ligand-Target Pair
Coagulation Factor VIII


(Homo sapiens (Human))
BDBM59160
PNG
(6209549)
Show SMILES COc1cc(C=Nn2c(O)csc2=S)ccc1OCCOc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C23H26N2O4S2/c1-23(2,3)17-6-8-18(9-7-17)28-11-12-29-19-10-5-16(13-20(19)27-4)14-24-25-21(26)15-31-22(25)30/h5-10,13-15,26H,11-12H2,1-4H3
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n/an/a 1.24E+4n/an/an/an/an/a37



University of Washington



Assay Description
Inhibition of factor VIII C2 domain.


Chem Biol 11: 1413-22 (2004)


Article DOI: 10.1016/j.chembiol.2004.08.006
BindingDB Entry DOI: 10.7270/Q29W0CX1
More data for this
Ligand-Target Pair
Coagulation Factor VIII


(Homo sapiens (Human))
BDBM59161
PNG
(5738875)
Show SMILES FC(F)(F)c1cccc(c1)N1C(=S)S\C(=C/c2ccc(I)o2)C1=O
Show InChI InChI=1S/C15H7F3INO2S2/c16-15(17,18)8-2-1-3-9(6-8)20-13(21)11(24-14(20)23)7-10-4-5-12(19)22-10/h1-7H/b11-7-
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n/an/a 5.65E+3n/an/an/an/an/a37



University of Washington



Assay Description
Inhibition of factor VIII C2 domain.


Chem Biol 11: 1413-22 (2004)


Article DOI: 10.1016/j.chembiol.2004.08.006
BindingDB Entry DOI: 10.7270/Q29W0CX1
More data for this
Ligand-Target Pair
Coagulation Factor VIII


(Homo sapiens (Human))
BDBM59162
PNG
(8047577)
Show SMILES FC(F)(F)c1cccc(c1)N1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Cl)cc2Cl)C1=O
Show InChI InChI=1S/C21H10Cl2F3NO2S2/c22-12-4-6-15(16(23)9-12)17-7-5-14(29-17)10-18-19(28)27(20(30)31-18)13-3-1-2-11(8-13)21(24,25)26/h1-10H/b18-10-
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n/an/a 2.44E+3n/an/an/an/an/a37



University of Washington



Assay Description
Inhibition of factor VIII C2 domain.


Chem Biol 11: 1413-22 (2004)


Article DOI: 10.1016/j.chembiol.2004.08.006
BindingDB Entry DOI: 10.7270/Q29W0CX1
More data for this
Ligand-Target Pair
Coagulation Factor VIII


(Homo sapiens (Human))
BDBM59163
PNG
(6789536)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1C(=S)S\C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C1=O
Show InChI InChI=1S/C20H11ClN2O4S3/c21-12-1-8-16(9-2-12)29-18-10-7-15(27-18)11-17-19(24)22(20(28)30-17)13-3-5-14(6-4-13)23(25)26/h1-11H/b17-11+
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n/an/a 5.85E+3n/an/an/an/an/a37



University of Washington



Assay Description
Inhibition of factor VIII C2 domain.


Chem Biol 11: 1413-22 (2004)


Article DOI: 10.1016/j.chembiol.2004.08.006
BindingDB Entry DOI: 10.7270/Q29W0CX1
More data for this
Ligand-Target Pair
Coagulation Factor VIII


(Homo sapiens (Human))
BDBM59164
PNG
(8048422)
Show SMILES [O-]C(=O)c1cc(ccc1Cl)-c1ccc(C=C2C(=O)NC(=S)NC2=O)o1
Show InChI InChI=1S/C16H9ClN2O5S/c17-11-3-1-7(5-9(11)15(22)23)12-4-2-8(24-12)6-10-13(20)18-16(25)19-14(10)21/h1-6H,(H,22,23)(H2,18,19,20,21,25)/p-1
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n/an/a 4.17E+3n/an/an/an/an/a37



University of Washington



Assay Description
Inhibition of factor VIII C2 domain.


Chem Biol 11: 1413-22 (2004)


Article DOI: 10.1016/j.chembiol.2004.08.006
BindingDB Entry DOI: 10.7270/Q29W0CX1
More data for this
Ligand-Target Pair
Coagulation Factor VIII


(Homo sapiens (Human))
BDBM59165
PNG
(8056354)
Show SMILES [O-]C(=O)c1cccc(-c2ccc(C=C3C(=O)NC(=S)NC3=O)o2)c1Cl
Show InChI InChI=1S/C16H9ClN2O5S/c17-12-8(2-1-3-9(12)15(22)23)11-5-4-7(24-11)6-10-13(20)18-16(25)19-14(10)21/h1-6H,(H,22,23)(H2,18,19,20,21,25)/p-1
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n/an/a 6.29E+3n/an/an/an/an/a37



University of Washington



Assay Description
Inhibition of factor VIII C2 domain.


Chem Biol 11: 1413-22 (2004)


Article DOI: 10.1016/j.chembiol.2004.08.006
BindingDB Entry DOI: 10.7270/Q29W0CX1
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50269531
PNG
((9Z)-hexadec-9-enoic acid | (Z)-9-hexadecenoic aci...)
Show SMILES CCCCCC\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-
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n/an/a 1.20E+5n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of amidolytic activity of human tissue factor/human factor 7a


J Nat Prod 61: 1352-5 (1999)


Article DOI: 10.1021/np980117p
BindingDB Entry DOI: 10.7270/Q2SF2VXF
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM22319
PNG
((5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid | ...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-
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n/an/a 1.05E+5n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of amidolytic activity of human tissue factor/human factor 7a


J Nat Prod 61: 1352-5 (1999)


Article DOI: 10.1021/np980117p
BindingDB Entry DOI: 10.7270/Q2SF2VXF
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50269535
PNG
((11Z,14Z,17Z)-Eicosa-11,14,17-trienoic acid | (11Z...)
Show SMILES CC\C=C/C\C=C/C\C=C/CCCCCCCCCC(O)=O
Show InChI InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10H,2,5,8,11-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-
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n/an/a 1.00E+5n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of amidolytic activity of human tissue factor/human factor 7a


J Nat Prod 61: 1352-5 (1999)


Article DOI: 10.1021/np980117p
BindingDB Entry DOI: 10.7270/Q2SF2VXF
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50150484
PNG
((Z)-9-octadecenoic acid | (Z)-Octadec-9-enoic acid...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
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n/an/a 8.00E+4n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of amidolytic activity of human tissue factor/human factor 7a


J Nat Prod 61: 1352-5 (1999)


Article DOI: 10.1021/np980117p
BindingDB Entry DOI: 10.7270/Q2SF2VXF
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50242349
PNG
((5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-eicosapentaenoic ...)
Show SMILES CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15-
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n/an/a 7.80E+4n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of amidolytic activity of human tissue factor/human factor 7a


J Nat Prod 61: 1352-5 (1999)


Article DOI: 10.1021/np980117p
BindingDB Entry DOI: 10.7270/Q2SF2VXF
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50269534
PNG
((8Z,11Z,14Z)-Icosatrienoic acid | (8Z,11Z,14Z)-ico...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(O)=O
Show InChI InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-
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n/an/a 7.50E+4n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of amidolytic activity of human tissue factor/human factor 7a


J Nat Prod 61: 1352-5 (1999)


Article DOI: 10.1021/np980117p
BindingDB Entry DOI: 10.7270/Q2SF2VXF
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50259930
PNG
(6-(10'Z-heptadecenyl)-salicylicacid | 6-[10'(Z)-he...)
Show SMILES CCCCCC\C=C/CCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h7-8,17,19-20,25H,2-6,9-16,18H2,1H3,(H,26,27)/b8-7-
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n/an/a 6.80E+4n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of amidolytic activity of human tissue factor/human factor 7a


J Nat Prod 61: 1352-5 (1999)


Article DOI: 10.1021/np980117p
BindingDB Entry DOI: 10.7270/Q2SF2VXF
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50269530
PNG
((9Z)-tetradec-9-enoic acid | CHEMBL456732 | cis-De...)
Show SMILES CCCC\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)/b6-5-
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n/an/a 6.60E+4n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of amidolytic activity of human tissue factor/human factor 7a


J Nat Prod 61: 1352-5 (1999)


Article DOI: 10.1021/np980117p
BindingDB Entry DOI: 10.7270/Q2SF2VXF
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50269533
PNG
(CHEMBL464983 | cis-11,14-eicosadienoicacid)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCCCC(O)=O
Show InChI InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10H,2-5,8,11-19H2,1H3,(H,21,22)/b7-6-,10-9-
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n/an/a 5.20E+4n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of amidolytic activity of human tissue factor/human factor 7a


J Nat Prod 61: 1352-5 (1999)


Article DOI: 10.1021/np980117p
BindingDB Entry DOI: 10.7270/Q2SF2VXF
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM22231
PNG
((9Z,12Z)-octadeca-9,12-dienoic acid | CHEMBL267476...)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
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n/an/a 4.10E+4n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of amidolytic activity of human tissue factor/human factor 7a


J Nat Prod 61: 1352-5 (1999)


Article DOI: 10.1021/np980117p
BindingDB Entry DOI: 10.7270/Q2SF2VXF
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50269540
PNG
(6-(8'Z,11'Z-heptadecadienyl)-salicylicacid | CHEMB...)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C24H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h6-7,9-10,17,19-20,25H,2-5,8,11-16,18H2,1H3,(H,26,27)/b7-6-,10-9-
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n/an/a 3.30E+4n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of amidolytic activity of human tissue factor/human factor 7a


J Nat Prod 61: 1352-5 (1999)


Article DOI: 10.1021/np980117p
BindingDB Entry DOI: 10.7270/Q2SF2VXF
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50242188
PNG
(6-(8'Z-pentadecenyl)-salicylicacid | 6-[8'(Z)-pent...)
Show SMILES CCCCCC\C=C/CCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h7-8,15,17-18,23H,2-6,9-14,16H2,1H3,(H,24,25)/b8-7-
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n/an/a 3.20E+4n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of amidolytic activity of human tissue factor/human factor 7a


J Nat Prod 61: 1352-5 (1999)


Article DOI: 10.1021/np980117p
BindingDB Entry DOI: 10.7270/Q2SF2VXF
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50269534
PNG
((8Z,11Z,14Z)-Icosatrienoic acid | (8Z,11Z,14Z)-ico...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(O)=O
Show InChI InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-
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n/an/a 3.00E+4n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of amidolytic activity of human tissue factor/human factor 7a


J Nat Prod 61: 1352-5 (1999)


Article DOI: 10.1021/np980117p
BindingDB Entry DOI: 10.7270/Q2SF2VXF
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50269532
PNG
((6,9,12)-linolenic acid | (6Z,9Z,12Z)-octadeca-6,9...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/CCCCC(O)=O
Show InChI InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-
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n/an/a 3.00E+4n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of amidolytic activity of human tissue factor/human factor 7a


J Nat Prod 61: 1352-5 (1999)


Article DOI: 10.1021/np980117p
BindingDB Entry DOI: 10.7270/Q2SF2VXF
More data for this
Ligand-Target Pair
Coagulation factor VII/tissue factor


(Homo sapiens)
BDBM50240347
PNG
((9,12,15)-linolenic acid | (9Z,12Z,15Z)-octadeca-9...)
Show SMILES CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O
Show InChI InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-
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n/an/a 3.00E+4n/an/an/an/an/an/a



Searle Discovery Research

Curated by ChEMBL


Assay Description
Inhibition of amidolytic activity of human tissue factor/human factor 7a


J Nat Prod 61: 1352-5 (1999)


Article DOI: 10.1021/np980117p
BindingDB Entry DOI: 10.7270/Q2SF2VXF
More data for this
Ligand-Target Pair
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