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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Fibronectin' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Fibronectin


(Homo sapiens)
BDBM50244569
PNG
(AP24283 | CHEMBL510893 | N-(4-(dimethylphosphoryl)...)
Show SMILES Cc1ccc2[nH]ncc2c1\C=C\n1cnc2c(Nc3ccc(cc3)P(C)(C)=O)ncnc12
Show InChI InChI=1S/C23H22N7OP/c1-15-4-9-20-19(12-27-29-20)18(15)10-11-30-14-26-21-22(24-13-25-23(21)30)28-16-5-7-17(8-6-16)32(2,3)31/h4-14H,1-3H3,(H,27,29)(H,24,25,28)/b11-10+
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n/an/a<0.5n/an/an/an/an/an/a



ARIAD Pharmaceuticals Inc



Assay Description
In vitro kinase assay using Abl, Abl T315I or Src kinase.


Citation and Details
More data for this
Ligand-Target Pair
Fibronectin


(Homo sapiens)
BDBM50244430
PNG
(9-(2,6-dimethylstyryl)-N-(4-(dimethylphosphoryl)ph...)
Show SMILES Cc1cccc(C)c1\C=C\n1cnc2c(Nc3ccc(cc3)P(C)(C)=O)ncnc12
Show InChI InChI=1S/C23H24N5OP/c1-16-6-5-7-17(2)20(16)12-13-28-15-26-21-22(24-14-25-23(21)28)27-18-8-10-19(11-9-18)30(3,4)29/h5-15H,1-4H3,(H,24,25,27)/b13-12+
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n/an/a 9.10n/an/an/an/an/an/a



ARIAD Pharmaceuticals Inc



Assay Description
In vitro kinase assay using Abl, Abl T315I or Src kinase.


Citation and Details
More data for this
Ligand-Target Pair
Fibronectin


(Homo sapiens)
BDBM50244527
PNG
(9-(2-(1H-indazol-4-yl)vinyl)-N-(4-(dimethylphospho...)
Show SMILES CP(C)(=O)c1ccc(Nc2ncnc3n(\C=C\c4cccc5[nH]ncc45)cnc23)cc1
Show InChI InChI=1S/C22H20N7OP/c1-31(2,30)17-8-6-16(7-9-17)27-21-20-22(24-13-23-21)29(14-25-20)11-10-15-4-3-5-19-18(15)12-26-28-19/h3-14H,1-2H3,(H,26,28)(H,23,24,27)/b11-10+
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n/an/a 17n/an/an/an/an/an/a



ARIAD Pharmaceuticals Inc



Assay Description
In vitro kinase assay using Abl, Abl T315I or Src kinase.


Citation and Details
More data for this
Ligand-Target Pair
Fibronectin


(Homo sapiens)
BDBM50244526
PNG
(9-(2-(1H-indol-4-yl)vinyl)-N-(4-(dimethylphosphory...)
Show SMILES CP(C)(=O)c1ccc(Nc2ncnc3n(\C=C\c4cccc5[nH]ccc45)cnc23)cc1
Show InChI InChI=1S/C23H21N6OP/c1-31(2,30)18-8-6-17(7-9-18)28-22-21-23(26-14-25-22)29(15-27-21)13-11-16-4-3-5-20-19(16)10-12-24-20/h3-15,24H,1-2H3,(H,25,26,28)/b13-11+
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n/an/a 198n/an/an/an/an/an/a



ARIAD Pharmaceuticals Inc



Assay Description
In vitro kinase assay using Abl, Abl T315I or Src kinase.


Citation and Details
More data for this
Ligand-Target Pair
Fibronectin


(Homo sapiens)
BDBM50375222
PNG
(CHEMBL256614)
Show SMILES CO[C@@H]1[C@@H](CO)O[C@H](O[C@H]2[C@H](O)[C@@H](OS([O-])(=O)=O)[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNc3cccc(NC(=O)CCCCC4CCSS4)c3)O[C@H]2C([O-])=O)[C@H](NS([O-])(=O)=O)[C@H]1O
Show InChI InChI=1S/C33H53N3O22S4/c1-53-27-20(13-37)55-32(22(25(27)43)36-61(47,48)49)56-28-26(44)29(58-62(50,51)52)33(57-30(28)31(45)46)54-14-19(39)24(42)23(41)18(38)12-34-15-5-4-6-16(11-15)35-21(40)8-3-2-7-17-9-10-59-60-17/h4-6,11,17-20,22-30,32-34,36-39,41-44H,2-3,7-10,12-14H2,1H3,(H,35,40)(H,45,46)(H,47,48,49)(H,50,51,52)/p-3/t17?,18-,19+,20+,22+,23+,24+,25+,26-,27+,28-,29+,30+,32+,33+/m0/s1
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n/an/an/a 30n/an/an/an/an/a



Kagoshima University

Curated by ChEMBL


Assay Description
Binding affinity to fibronectin using surface plasmon resonance imaging sensor method


Citation and Details
More data for this
Ligand-Target Pair
Fibronectin


(Homo sapiens)
BDBM50375224
PNG
(CHEMBL441895)
Show SMILES CO[C@H]1[C@H](O)[C@@H](N)[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNc3cccc(NC(=O)CCCCC4CCSS4)c3)O[C@@H]2C([O-])=O)O[C@@H]1COS([O-])(=O)=O
Show InChI InChI=1S/C33H53N3O19S3/c1-50-28-20(14-52-58(47,48)49)53-32(22(34)25(28)42)54-29-26(43)27(44)33(55-30(29)31(45)46)51-13-19(38)24(41)23(40)18(37)12-35-15-5-4-6-16(11-15)36-21(39)8-3-2-7-17-9-10-56-57-17/h4-6,11,17-20,22-30,32-33,35,37-38,40-44H,2-3,7-10,12-14,34H2,1H3,(H,36,39)(H,45,46)(H,47,48,49)/p-2/t17?,18-,19+,20+,22+,23+,24+,25+,26+,27+,28+,29-,30-,32+,33+/m0/s1
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n/an/an/a 33n/an/an/an/an/a



Kagoshima University

Curated by ChEMBL


Assay Description
Binding affinity to fibronectin using surface plasmon resonance imaging sensor method


Citation and Details
More data for this
Ligand-Target Pair
Fibronectin


(Homo sapiens)
BDBM50375221
PNG
(CHEMBL404104)
Show SMILES CO[C@@H]1[C@@H](COS([O-])(=O)=O)O[C@H](O[C@H]2[C@H](O)[C@@H](OS([O-])(=O)=O)[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNc3cccc(NC(=O)CCCCC4CCSS4)c3)O[C@H]2C([O-])=O)[C@H](NS([O-])(=O)=O)[C@H]1O
Show InChI InChI=1S/C33H53N3O25S5/c1-55-27-20(14-57-65(49,50)51)58-32(22(25(27)42)36-64(46,47)48)59-28-26(43)29(61-66(52,53)54)33(60-30(28)31(44)45)56-13-19(38)24(41)23(40)18(37)12-34-15-5-4-6-16(11-15)35-21(39)8-3-2-7-17-9-10-62-63-17/h4-6,11,17-20,22-30,32-34,36-38,40-43H,2-3,7-10,12-14H2,1H3,(H,35,39)(H,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/p-4/t17?,18-,19+,20+,22+,23+,24+,25+,26-,27+,28-,29+,30+,32+,33+/m0/s1
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n/an/an/a 5.5n/an/an/an/an/a



Kagoshima University

Curated by ChEMBL


Assay Description
Binding affinity to fibronectin using surface plasmon resonance imaging sensor method


Citation and Details
More data for this
Ligand-Target Pair
Fibronectin


(Homo sapiens)
BDBM50375223
PNG
(CHEMBL404103)
Show SMILES CO[C@@H]1[C@@H](COS([O-])(=O)=O)O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNc3cccc(NC(=O)CCCCC4CCSS4)c3)O[C@@H]2C([O-])=O)[C@H](NS([O-])(=O)=O)[C@H]1O
Show InChI InChI=1S/C33H53N3O22S4/c1-53-28-20(14-55-62(50,51)52)56-32(22(25(28)42)36-61(47,48)49)57-29-26(43)27(44)33(58-30(29)31(45)46)54-13-19(38)24(41)23(40)18(37)12-34-15-5-4-6-16(11-15)35-21(39)8-3-2-7-17-9-10-59-60-17/h4-6,11,17-20,22-30,32-34,36-38,40-44H,2-3,7-10,12-14H2,1H3,(H,35,39)(H,45,46)(H,47,48,49)(H,50,51,52)/p-3/t17?,18-,19+,20+,22+,23+,24+,25+,26+,27+,28+,29-,30-,32+,33+/m0/s1
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n/an/an/a 6.5n/an/an/an/an/a



Kagoshima University

Curated by ChEMBL


Assay Description
Binding affinity to fibronectin using surface plasmon resonance imaging sensor method


Citation and Details
More data for this
Ligand-Target Pair