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Compile Data Set for Download or QSAR

Found 275 hits of ic50 data for polymerid = 50001641   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Heparanase


(Homo sapiens (Human))
BDBM50017347
PNG
(CHEMBL3288259)
Show SMILES [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].NCCCCCO[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H]([C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H]([C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H]([C@@H](O)[C@H](O)[C@H]6OS([O-])(=O)=O)C([O-])=O)[C@H](O)[C@H]5NS([O-])(=O)=O)[C@H](O)[C@H]4OS([O-])(=O)=O)C([O-])=O)[C@H](O)[C@H]3NS([O-])(=O)=O)[C@H](O)[C@H]2OS([O-])(=O)=O)C([O-])=O)[C@H](O)[C@H]1NS([O-])(=O)=O
Show InChI InChI=1S/C41H70N4O49S6.9Na/c42-4-2-1-3-5-80-36-12(43-95(62,63)64)15(49)22(9(6-46)81-36)85-40-29(93-99(74,75)76)20(54)25(31(90-40)34(58)59)88-38-14(45-97(68,69)70)17(51)24(11(8-48)83-38)86-41-30(94-100(77,78)79)21(55)26(32(91-41)35(60)61)87-37-13(44-96(65,66)67)16(50)23(10(7-47)82-37)84-39-28(92-98(71,72)73)19(53)18(52)27(89-39)33(56)57;;;;;;;;;/h9-32,36-41,43-55H,1-8,42H2,(H,56,57)(H,58,59)(H,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79);;;;;;;;;/q;9*+1/p-9/t9-,10-,11-,12-,13-,14-,15-,16-,17-,18+,19+,20+,21+,22-,23-,24-,25+,26+,27-,28-,29-,30-,31-,32-,36+,37-,38-,39-,40-,41-;;;;;;;;;/m1........./s1
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n/an/a 66n/an/an/an/an/an/a



Momenta Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant heparanase (unknown origin) using biotin-cryptate-labeled heparan sulfate as substrate preincubated for 15 mins prior to su...


J Med Chem 57: 4511-20 (2014)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50175932
PNG
(1,3-bis-[4-(5,6-dimethyl-1H-benzoimidazol-2-yl)phe...)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(NC(=O)Nc2ccc(cc2)-c2nc3cc(C)c(C)cc3[nH]2)cc1
Show InChI InChI=1S/C31H28N6O/c1-17-13-25-26(14-18(17)2)35-29(34-25)21-5-9-23(10-6-21)32-31(38)33-24-11-7-22(8-12-24)30-36-27-15-19(3)20(4)16-28(27)37-30/h5-16H,1-4H3,(H,34,35)(H,36,37)(H2,32,33,38)
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n/an/a 75n/an/an/an/an/an/a



Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es

Curated by ChEMBL


Assay Description
Inhibition of recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3)


Bioorg Med Chem 21: 1944-51 (2013)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50175932
PNG
(1,3-bis-[4-(5,6-dimethyl-1H-benzoimidazol-2-yl)phe...)
Show SMILES Cc1cc2nc([nH]c2cc1C)-c1ccc(NC(=O)Nc2ccc(cc2)-c2nc3cc(C)c(C)cc3[nH]2)cc1
Show InChI InChI=1S/C31H28N6O/c1-17-13-25-26(14-18(17)2)35-29(34-25)21-5-9-23(10-6-21)32-31(38)33-24-11-7-22(8-12-24)30-36-27-15-19(3)20(4)16-28(27)37-30/h5-16H,1-4H3,(H,34,35)(H,36,37)(H2,32,33,38)
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n/an/a 75n/an/an/an/an/an/a



ImClone Systems Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against heparanase from human platelets


Bioorg Med Chem Lett 16: 409-12 (2005)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50431662
PNG
(CHEMBL2349246)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)Nc1cc(=O)n([nH]1)-c1ccc(Oc2ccccc2)c(c1)S(O)(=O)=O
Show InChI InChI=1S/C33H47N3O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-32(37)34-31-26-33(38)36(35-31)27-23-24-29(30(25-27)43(39,40)41)42-28-20-17-16-18-21-28/h16-18,20-21,23-26,35H,2-15,19,22H2,1H3,(H,34,37)(H,39,40,41)
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n/an/a 130n/an/an/an/an/an/a



Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es

Curated by ChEMBL


Assay Description
Inhibition of recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3)


Bioorg Med Chem 21: 1944-51 (2013)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50175931
PNG
(1-(4-(1H-benzo[d]imidazol-2-yl)phenyl)-3-(4-(7-met...)
Show SMILES Cc1cccc2[nH]c(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)-c2nc3ccccc3[nH]2)cc1
Show InChI InChI=1S/C28H22N6O/c1-17-5-4-8-24-25(17)34-27(33-24)19-11-15-21(16-12-19)30-28(35)29-20-13-9-18(10-14-20)26-31-22-6-2-3-7-23(22)32-26/h2-16H,1H3,(H,31,32)(H,33,34)(H2,29,30,35)
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n/an/a 150n/an/an/an/an/an/a



ImClone Systems Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against heparanase from human platelets


Bioorg Med Chem Lett 16: 409-12 (2005)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50175938
PNG
(1,3-bis(4-(7-methyl-1H-benzo[d]imidazol-2-yl)pheny...)
Show SMILES Cc1cccc2[nH]c(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)-c2nc3c(C)cccc3[nH]2)cc1
Show InChI InChI=1S/C29H24N6O/c1-17-5-3-7-23-25(17)34-27(32-23)19-9-13-21(14-10-19)30-29(36)31-22-15-11-20(12-16-22)28-33-24-8-4-6-18(2)26(24)35-28/h3-16H,1-2H3,(H,32,34)(H,33,35)(H2,30,31,36)
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ImClone Systems Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against heparanase from human platelets


Bioorg Med Chem Lett 16: 409-12 (2005)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50175936
PNG
(1,3-bis(4-(6-methyl-1H-benzo[d]imidazol-2-yl)pheny...)
Show SMILES Cc1ccc2nc([nH]c2c1)-c1ccc(NC(=O)Nc2ccc(cc2)-c2nc3ccc(C)cc3[nH]2)cc1
Show InChI InChI=1S/C29H24N6O/c1-17-3-13-23-25(15-17)34-27(32-23)19-5-9-21(10-6-19)30-29(36)31-22-11-7-20(8-12-22)28-33-24-14-4-18(2)16-26(24)35-28/h3-16H,1-2H3,(H,32,34)(H,33,35)(H2,30,31,36)
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n/an/a 150n/an/an/an/an/an/a



ImClone Systems Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against heparanase from human platelets


Bioorg Med Chem Lett 16: 409-12 (2005)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50165660
PNG
(2-(3-(5-(4-chlorophenyl)benzo[d]oxazol-2-yl)-4-(pr...)
Show SMILES CCCNc1ccc(cc1-c1nc2cc(ccc2o1)-c1ccc(Cl)cc1)N1C(=O)c2ccc(cc2C1=O)C(O)=O
Show InChI InChI=1S/C31H22ClN3O5/c1-2-13-33-25-11-9-21(35-29(36)22-10-5-19(31(38)39)14-23(22)30(35)37)16-24(25)28-34-26-15-18(6-12-27(26)40-28)17-3-7-20(32)8-4-17/h3-12,14-16,33H,2,13H2,1H3,(H,38,39)
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n/an/a 200n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of heparanase


Eur J Med Chem 43: 548-56 (2008)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50165653
PNG
((2-{4-[2-(3,4-Dichloro-phenylcarbamoyl)-vinyl]-2-f...)
Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(\C=C\C(=O)Nc2ccc(Cl)c(Cl)c2)cc1F
Show InChI InChI=1S/C24H15Cl2FN2O4/c25-17-6-4-15(12-18(17)26)28-22(30)8-3-13-1-5-16(19(27)9-13)24-29-20-10-14(11-23(31)32)2-7-21(20)33-24/h1-10,12H,11H2,(H,28,30)(H,31,32)/b8-3+
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n/an/a 200n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of heparanase


Eur J Med Chem 43: 548-56 (2008)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50165669
PNG
((2-{4-[2-(3-Bromo-phenylcarbamoyl)-vinyl]-2-fluoro...)
Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(\C=C\C(=O)Nc2cccc(Br)c2)cc1F
Show InChI InChI=1S/C24H16BrFN2O4/c25-16-2-1-3-17(13-16)27-22(29)9-6-14-4-7-18(19(26)10-14)24-28-20-11-15(12-23(30)31)5-8-21(20)32-24/h1-11,13H,12H2,(H,27,29)(H,30,31)/b9-6+
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n/an/a 200n/an/an/an/an/an/a



Celltech R&D Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human Heparanase


Bioorg Med Chem Lett 15: 2295-9 (2005)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50165653
PNG
((2-{4-[2-(3,4-Dichloro-phenylcarbamoyl)-vinyl]-2-f...)
Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(\C=C\C(=O)Nc2ccc(Cl)c(Cl)c2)cc1F
Show InChI InChI=1S/C24H15Cl2FN2O4/c25-17-6-4-15(12-18(17)26)28-22(30)8-3-13-1-5-16(19(27)9-13)24-29-20-10-14(11-23(31)32)2-7-21(20)33-24/h1-10,12H,11H2,(H,28,30)(H,31,32)/b8-3+
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Celltech R&D Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human Heparanase


Bioorg Med Chem Lett 15: 2295-9 (2005)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50165660
PNG
(2-(3-(5-(4-chlorophenyl)benzo[d]oxazol-2-yl)-4-(pr...)
Show SMILES CCCNc1ccc(cc1-c1nc2cc(ccc2o1)-c1ccc(Cl)cc1)N1C(=O)c2ccc(cc2C1=O)C(O)=O
Show InChI InChI=1S/C31H22ClN3O5/c1-2-13-33-25-11-9-21(35-29(36)22-10-5-19(31(38)39)14-23(22)30(35)37)16-24(25)28-34-26-15-18(6-12-27(26)40-28)17-3-7-20(32)8-4-17/h3-12,14-16,33H,2,13H2,1H3,(H,38,39)
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Celltech R&D Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human Heparanase


Bioorg Med Chem Lett 15: 2295-9 (2005)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50165639
PNG
((2-{4-[2-(2,4-Dichloro-phenylcarbamoyl)-vinyl]-2-f...)
Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(\C=C\C(=O)Nc2ccc(Cl)cc2Cl)cc1F
Show InChI InChI=1S/C24H15Cl2FN2O4/c25-15-4-6-19(17(26)12-15)28-22(30)8-3-13-1-5-16(18(27)9-13)24-29-20-10-14(11-23(31)32)2-7-21(20)33-24/h1-10,12H,11H2,(H,28,30)(H,31,32)/b8-3+
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Celltech R&D Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human Heparanase


Bioorg Med Chem Lett 15: 2295-9 (2005)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50147513
PNG
(2-[3-[5-(4-Chloro-phenyl)-benzooxazol-2-yl]-4-(2-m...)
Show SMILES COCCNc1ccc(cc1-c1nc2cc(ccc2o1)-c1ccc(Cl)cc1)N1C(=O)c2ccc(cc2C1=O)C(O)=O
Show InChI InChI=1S/C31H22ClN3O6/c1-40-13-12-33-25-10-8-21(35-29(36)22-9-4-19(31(38)39)14-23(22)30(35)37)16-24(25)28-34-26-15-18(5-11-27(26)41-28)17-2-6-20(32)7-3-17/h2-11,14-16,33H,12-13H2,1H3,(H,38,39)
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Celltech R&D Ltd

Curated by ChEMBL


Assay Description
In vivo inhibitory activity against human Heparanase


Bioorg Med Chem Lett 14: 3269-73 (2004)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50147546
PNG
(2-(3-(5-(benzo[d][1,3]dioxol-5-yl)benzo[d]oxazol-2...)
Show SMILES COc1ccc(cc1-c1nc2cc(ccc2o1)-c1ccc2OCOc2c1)N1C(=O)c2ccc(cc2C1=O)C(O)=O
Show InChI InChI=1S/C30H18N2O8/c1-37-23-9-5-18(32-28(33)19-6-2-17(30(35)36)10-20(19)29(32)34)13-21(23)27-31-22-11-15(3-7-24(22)40-27)16-4-8-25-26(12-16)39-14-38-25/h2-13H,14H2,1H3,(H,35,36)
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Celltech R&D Ltd

Curated by ChEMBL


Assay Description
In vivo inhibitory activity against human Heparanase


Bioorg Med Chem Lett 14: 3269-73 (2004)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50165669
PNG
((2-{4-[2-(3-Bromo-phenylcarbamoyl)-vinyl]-2-fluoro...)
Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(\C=C\C(=O)Nc2cccc(Br)c2)cc1F
Show InChI InChI=1S/C24H16BrFN2O4/c25-16-2-1-3-17(13-16)27-22(29)9-6-14-4-7-18(19(26)10-14)24-28-20-11-15(12-23(30)31)5-8-21(20)32-24/h1-11,13H,12H2,(H,27,29)(H,30,31)/b9-6+
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Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of heparanase


Eur J Med Chem 43: 548-56 (2008)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50165639
PNG
((2-{4-[2-(2,4-Dichloro-phenylcarbamoyl)-vinyl]-2-f...)
Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(\C=C\C(=O)Nc2ccc(Cl)cc2Cl)cc1F
Show InChI InChI=1S/C24H15Cl2FN2O4/c25-15-4-6-19(17(26)12-15)28-22(30)8-3-13-1-5-16(18(27)9-13)24-29-20-10-14(11-23(31)32)2-7-21(20)33-24/h1-10,12H,11H2,(H,28,30)(H,31,32)/b8-3+
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Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of heparanase


Eur J Med Chem 43: 548-56 (2008)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50147546
PNG
(2-(3-(5-(benzo[d][1,3]dioxol-5-yl)benzo[d]oxazol-2...)
Show SMILES COc1ccc(cc1-c1nc2cc(ccc2o1)-c1ccc2OCOc2c1)N1C(=O)c2ccc(cc2C1=O)C(O)=O
Show InChI InChI=1S/C30H18N2O8/c1-37-23-9-5-18(32-28(33)19-6-2-17(30(35)36)10-20(19)29(32)34)13-21(23)27-31-22-11-15(3-7-24(22)40-27)16-4-8-25-26(12-16)39-14-38-25/h2-13H,14H2,1H3,(H,35,36)
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Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of heparanase


Eur J Med Chem 43: 548-56 (2008)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50431663
PNG
(CHEMBL2349247)
Show SMILES CC(=O)Cc1ccc2oc(nc2c1)-c1ccc(\C=C\C(=O)Nc2ccc(Cl)c(Cl)c2)cc1F
Show InChI InChI=1S/C25H17Cl2FN2O3/c1-14(31)10-16-3-8-23-22(12-16)30-25(33-23)18-6-2-15(11-21(18)28)4-9-24(32)29-17-5-7-19(26)20(27)13-17/h2-9,11-13H,10H2,1H3,(H,29,32)/b9-4+
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n/an/a 200n/an/an/an/an/an/a



Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es

Curated by ChEMBL


Assay Description
Inhibition of recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3)


Bioorg Med Chem 21: 1944-51 (2013)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50165660
PNG
(2-(3-(5-(4-chlorophenyl)benzo[d]oxazol-2-yl)-4-(pr...)
Show SMILES CCCNc1ccc(cc1-c1nc2cc(ccc2o1)-c1ccc(Cl)cc1)N1C(=O)c2ccc(cc2C1=O)C(O)=O
Show InChI InChI=1S/C31H22ClN3O5/c1-2-13-33-25-11-9-21(35-29(36)22-10-5-19(31(38)39)14-23(22)30(35)37)16-24(25)28-34-26-15-18(6-12-27(26)40-28)17-3-7-20(32)8-4-17/h3-12,14-16,33H,2,13H2,1H3,(H,38,39)
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Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es

Curated by ChEMBL


Assay Description
Inhibition of recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3)


Bioorg Med Chem 21: 1944-51 (2013)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50175811
PNG
(CHEMBL200215 | N-(4-{[4-(1H-benzoimidazol-2-yl)phe...)
Show SMILES COc1ccc(cc1Br)C(=O)Nc1ccc(CNc2ccc(cc2)-c2nc3ccccc3[nH]2)cc1
Show InChI InChI=1S/C28H23BrN4O2/c1-35-26-15-10-20(16-23(26)29)28(34)31-22-11-6-18(7-12-22)17-30-21-13-8-19(9-14-21)27-32-24-4-2-3-5-25(24)33-27/h2-16,30H,17H2,1H3,(H,31,34)(H,32,33)
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Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es

Curated by ChEMBL


Assay Description
Inhibition of recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3)


Bioorg Med Chem 21: 1944-51 (2013)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50175811
PNG
(CHEMBL200215 | N-(4-{[4-(1H-benzoimidazol-2-yl)phe...)
Show SMILES COc1ccc(cc1Br)C(=O)Nc1ccc(CNc2ccc(cc2)-c2nc3ccccc3[nH]2)cc1
Show InChI InChI=1S/C28H23BrN4O2/c1-35-26-15-10-20(16-23(26)29)28(34)31-22-11-6-18(7-12-22)17-30-21-13-8-19(9-14-21)27-32-24-4-2-3-5-25(24)33-27/h2-16,30H,17H2,1H3,(H,31,34)(H,32,33)
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ImClone Systems Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against heparanase from human platelets


Bioorg Med Chem Lett 16: 404-8 (2005)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50375289
PNG
(CHEMBL258980)
Show SMILES CO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O
Show InChI InChI=1S/C13H24O32S7/c1-35-12-10(44-51(29,30)31)8(6(41-48(20,21)22)4(38-12)2-36-46(14,15)16)40-13-11(45-52(32,33)34)9(43-50(26,27)28)7(42-49(23,24)25)5(39-13)3-37-47(17,18)19/h4-13H,2-3H2,1H3,(H,14,15,16)(H,17,18,19)(H,20,21,22)(H,23,24,25)(H,26,27,28)(H,29,30,31)(H,32,33,34)/p-7/t4-,5-,6-,7-,8+,9+,10+,11+,12+,13-/m1/s1
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n/an/a 250n/an/an/an/an/an/a



Progen Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human platelet heparanase


Bioorg Med Chem 16: 699-709 (2008)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50147534
PNG
(1,3-Dioxo-2-[3-(5-phenyl-benzooxazol-2-yl)-4-propy...)
Show SMILES CCCNc1ccc(cc1-c1nc2cc(ccc2o1)-c1ccccc1)N1C(=O)c2ccc(cc2C1=O)C(O)=O
Show InChI InChI=1S/C31H23N3O5/c1-2-14-32-25-12-10-21(34-29(35)22-11-8-20(31(37)38)15-23(22)30(34)36)17-24(25)28-33-26-16-19(9-13-27(26)39-28)18-6-4-3-5-7-18/h3-13,15-17,32H,2,14H2,1H3,(H,37,38)
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n/an/a 250n/an/an/an/an/an/a



Celltech R&D Ltd

Curated by ChEMBL


Assay Description
In vivo inhibitory activity against human Heparanase


Bioorg Med Chem Lett 14: 3269-73 (2004)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50147534
PNG
(1,3-Dioxo-2-[3-(5-phenyl-benzooxazol-2-yl)-4-propy...)
Show SMILES CCCNc1ccc(cc1-c1nc2cc(ccc2o1)-c1ccccc1)N1C(=O)c2ccc(cc2C1=O)C(O)=O
Show InChI InChI=1S/C31H23N3O5/c1-2-14-32-25-12-10-21(34-29(35)22-11-8-20(31(37)38)15-23(22)30(34)36)17-24(25)28-33-26-16-19(9-13-27(26)39-28)18-6-4-3-5-7-18/h3-13,15-17,32H,2,14H2,1H3,(H,37,38)
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Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of heparanase


Eur J Med Chem 43: 548-56 (2008)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50175939
PNG
(1,3-bis-[4-(1H-benzoimidazol-2-yl)phenyl]urea | CH...)
Show SMILES O=C(Nc1ccc(cc1)-c1nc2ccccc2[nH]1)Nc1ccc(cc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C27H20N6O/c34-27(28-19-13-9-17(10-14-19)25-30-21-5-1-2-6-22(21)31-25)29-20-15-11-18(12-16-20)26-32-23-7-3-4-8-24(23)33-26/h1-16H,(H,30,31)(H,32,33)(H2,28,29,34)
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Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es

Curated by ChEMBL


Assay Description
Inhibition of recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3)


Bioorg Med Chem 21: 1944-51 (2013)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50175939
PNG
(1,3-bis-[4-(1H-benzoimidazol-2-yl)phenyl]urea | CH...)
Show SMILES O=C(Nc1ccc(cc1)-c1nc2ccccc2[nH]1)Nc1ccc(cc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C27H20N6O/c34-27(28-19-13-9-17(10-14-19)25-30-21-5-1-2-6-22(21)31-25)29-20-15-11-18(12-16-20)26-32-23-7-3-4-8-24(23)33-26/h1-16H,(H,30,31)(H,32,33)(H2,28,29,34)
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ImClone Systems Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against heparanase from human platelets


Bioorg Med Chem Lett 16: 409-12 (2005)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50175813
PNG
(CHEMBL200831 | N-(4-{[5-(1H-benzoimidazol-2-yl)-py...)
Show SMILES COc1ccc(cc1Br)C(=O)Nc1ccc(CNc2ccc(cn2)-c2nc3ccccc3[nH]2)cc1
Show InChI InChI=1S/C27H22BrN5O2/c1-35-24-12-8-18(14-21(24)28)27(34)31-20-10-6-17(7-11-20)15-29-25-13-9-19(16-30-25)26-32-22-4-2-3-5-23(22)33-26/h2-14,16H,15H2,1H3,(H,29,30)(H,31,34)(H,32,33)
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ImClone Systems Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against heparanase from human platelets


Bioorg Med Chem Lett 16: 404-8 (2005)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50175813
PNG
(CHEMBL200831 | N-(4-{[5-(1H-benzoimidazol-2-yl)-py...)
Show SMILES COc1ccc(cc1Br)C(=O)Nc1ccc(CNc2ccc(cn2)-c2nc3ccccc3[nH]2)cc1
Show InChI InChI=1S/C27H22BrN5O2/c1-35-24-12-8-18(14-21(24)28)27(34)31-20-10-6-17(7-11-20)15-29-25-13-9-19(16-30-25)26-32-22-4-2-3-5-23(22)33-26/h2-14,16H,15H2,1H3,(H,29,30)(H,31,34)(H,32,33)
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Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es

Curated by ChEMBL


Assay Description
Inhibition of recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3)


Bioorg Med Chem 21: 1944-51 (2013)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50165640
PNG
(2-(4-(5-(2-chloro-4-(3-(2,4-dichlorophenyl)acrylam...)
Show SMILES OC(=O)Cc1nc(cs1)-c1ccc(o1)-c1ccc(NC(=O)\C=C\c2ccc(Cl)cc2Cl)cc1Cl
Show InChI InChI=1S/C24H15Cl3N2O4S/c25-14-3-1-13(17(26)9-14)2-8-22(30)28-15-4-5-16(18(27)10-15)20-6-7-21(33-20)19-12-34-23(29-19)11-24(31)32/h1-10,12H,11H2,(H,28,30)(H,31,32)/b8-2+
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Celltech R&D Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human Heparanase


Bioorg Med Chem Lett 15: 2295-9 (2005)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50165638
PNG
((2-{4-[2-(4-Cyano-phenylcarbamoyl)-vinyl]-2-fluoro...)
Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(\C=C\C(=O)Nc2ccc(cc2)C#N)cc1F
Show InChI InChI=1S/C25H16FN3O4/c26-20-11-15(5-10-23(30)28-18-6-1-16(14-27)2-7-18)3-8-19(20)25-29-21-12-17(13-24(31)32)4-9-22(21)33-25/h1-12H,13H2,(H,28,30)(H,31,32)/b10-5+
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Celltech R&D Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human Heparanase


Bioorg Med Chem Lett 15: 2295-9 (2005)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50165627
PNG
((2-{4-[2-(3-Fluoro-4-methoxy-phenylcarbamoyl)-viny...)
Show SMILES COc1ccc(NC(=O)\C=C\c2ccc(cc2)-c2nc3cc(CC(O)=O)ccc3o2)cc1F
Show InChI InChI=1S/C25H19FN2O5/c1-32-21-10-8-18(14-19(21)26)27-23(29)11-5-15-2-6-17(7-3-15)25-28-20-12-16(13-24(30)31)4-9-22(20)33-25/h2-12,14H,13H2,1H3,(H,27,29)(H,30,31)/b11-5+
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Celltech R&D Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human Heparanase


Bioorg Med Chem Lett 15: 2295-9 (2005)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50165614
PNG
((2-{4-[3-((E)-3-Chloro-2-fluoro-phenyl)-acryloylam...)
Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2cccc(Cl)c2F)c(F)c1
Show InChI InChI=1S/C24H15ClF2N2O4/c25-16-3-1-2-14(23(16)27)6-9-21(30)28-18-7-5-15(12-17(18)26)24-29-19-10-13(11-22(31)32)4-8-20(19)33-24/h1-10,12H,11H2,(H,28,30)(H,31,32)/b9-6+
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Celltech R&D Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human Heparanase


Bioorg Med Chem Lett 15: 2295-9 (2005)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50165638
PNG
((2-{4-[2-(4-Cyano-phenylcarbamoyl)-vinyl]-2-fluoro...)
Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(\C=C\C(=O)Nc2ccc(cc2)C#N)cc1F
Show InChI InChI=1S/C25H16FN3O4/c26-20-11-15(5-10-23(30)28-18-6-1-16(14-27)2-7-18)3-8-19(20)25-29-21-12-17(13-24(31)32)4-9-22(21)33-25/h1-12H,13H2,(H,28,30)(H,31,32)/b10-5+
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Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of heparanase


Eur J Med Chem 43: 548-56 (2008)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50165627
PNG
((2-{4-[2-(3-Fluoro-4-methoxy-phenylcarbamoyl)-viny...)
Show SMILES COc1ccc(NC(=O)\C=C\c2ccc(cc2)-c2nc3cc(CC(O)=O)ccc3o2)cc1F
Show InChI InChI=1S/C25H19FN2O5/c1-32-21-10-8-18(14-19(21)26)27-23(29)11-5-15-2-6-17(7-3-15)25-28-20-12-16(13-24(30)31)4-9-22(20)33-25/h2-12,14H,13H2,1H3,(H,27,29)(H,30,31)/b11-5+
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Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of heparanase


Eur J Med Chem 43: 548-56 (2008)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50165640
PNG
(2-(4-(5-(2-chloro-4-(3-(2,4-dichlorophenyl)acrylam...)
Show SMILES OC(=O)Cc1nc(cs1)-c1ccc(o1)-c1ccc(NC(=O)\C=C\c2ccc(Cl)cc2Cl)cc1Cl
Show InChI InChI=1S/C24H15Cl3N2O4S/c25-14-3-1-13(17(26)9-14)2-8-22(30)28-15-4-5-16(18(27)10-15)20-6-7-21(33-20)19-12-34-23(29-19)11-24(31)32/h1-10,12H,11H2,(H,28,30)(H,31,32)/b8-2+
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Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of heparanase


Eur J Med Chem 43: 548-56 (2008)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50165614
PNG
((2-{4-[3-((E)-3-Chloro-2-fluoro-phenyl)-acryloylam...)
Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2cccc(Cl)c2F)c(F)c1
Show InChI InChI=1S/C24H15ClF2N2O4/c25-16-3-1-2-14(23(16)27)6-9-21(30)28-18-7-5-15(12-17(18)26)24-29-19-10-13(11-22(31)32)4-8-20(19)33-24/h1-10,12H,11H2,(H,28,30)(H,31,32)/b9-6+
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Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of heparanase


Eur J Med Chem 43: 548-56 (2008)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50412096
PNG
(CHEMBL495405)
Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2ccc(F)cc2F)cc1Cl
Show InChI InChI=1S/C24H15ClF2N2O4/c25-18-12-16(28-22(30)8-3-14-2-4-15(26)11-19(14)27)5-6-17(18)24-29-20-9-13(10-23(31)32)1-7-21(20)33-24/h1-9,11-12H,10H2,(H,28,30)(H,31,32)/b8-3+
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Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of heparanase


Eur J Med Chem 43: 548-56 (2008)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50412099
PNG
(CHEMBL522358)
Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2ccc(F)cc2F)c(F)c1
Show InChI InChI=1S/C24H15F3N2O4/c25-16-5-2-14(17(26)12-16)4-8-22(30)28-19-6-3-15(11-18(19)27)24-29-20-9-13(10-23(31)32)1-7-21(20)33-24/h1-9,11-12H,10H2,(H,28,30)(H,31,32)/b8-4+
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Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of heparanase


Eur J Med Chem 43: 548-56 (2008)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50165621
PNG
((2-{2-Chloro-4-[3-((E)-2,4-dichloro-phenyl)-acrylo...)
Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2ccc(Cl)cc2Cl)cc1Cl
Show InChI InChI=1S/C24H15Cl3N2O4/c25-15-4-2-14(18(26)11-15)3-8-22(30)28-16-5-6-17(19(27)12-16)24-29-20-9-13(10-23(31)32)1-7-21(20)33-24/h1-9,11-12H,10H2,(H,28,30)(H,31,32)/b8-3+
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n/an/a 350n/an/an/an/an/an/a



Celltech R&D Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human Heparanase


Bioorg Med Chem Lett 15: 2295-9 (2005)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50165624
PNG
((2-{4-[3-((E)-2,4-Dichloro-phenyl)-acryloylamino]-...)
Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2ccc(Cl)cc2Cl)c(F)c1
Show InChI InChI=1S/C24H15Cl2FN2O4/c25-16-5-2-14(17(26)12-16)4-8-22(30)28-19-6-3-15(11-18(19)27)24-29-20-9-13(10-23(31)32)1-7-21(20)33-24/h1-9,11-12H,10H2,(H,28,30)(H,31,32)/b8-4+
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n/an/a 350n/an/an/an/an/an/a



Celltech R&D Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against human Heparanase


Bioorg Med Chem Lett 15: 2295-9 (2005)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50165620
PNG
(2-(4-(5-(2-chloro-4-(3-(4-methoxyphenyl)acrylamido...)
Show SMILES COc1ccc(\C=C\C(=O)Nc2ccc(-c3ccc(o3)-c3csc(CC(O)=O)n3)c(Cl)c2)cc1
Show InChI InChI=1S/C25H19ClN2O5S/c1-32-17-6-2-15(3-7-17)4-11-23(29)27-16-5-8-18(19(26)12-16)21-9-10-22(33-21)20-14-34-24(28-20)13-25(30)31/h2-12,14H,13H2,1H3,(H,27,29)(H,30,31)/b11-4+
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n/an/a 398n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of heparanase


Eur J Med Chem 43: 548-56 (2008)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50165615
PNG
((2-{4-[2-(2,4-Dichloro-phenylcarbamoyl)-vinyl]-phe...)
Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(\C=C\C(=O)Nc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C24H16Cl2N2O4/c25-17-7-8-19(18(26)13-17)27-22(29)10-4-14-1-5-16(6-2-14)24-28-20-11-15(12-23(30)31)3-9-21(20)32-24/h1-11,13H,12H2,(H,27,29)(H,30,31)/b10-4+
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n/an/a 398n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of heparanase


Eur J Med Chem 43: 548-56 (2008)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50165613
PNG
((2-{4-[3-((E)-4-Bromo-phenyl)-acryloylamino]-2-chl...)
Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2ccc(Br)cc2)cc1Cl
Show InChI InChI=1S/C24H16BrClN2O4/c25-16-5-1-14(2-6-16)4-10-22(29)27-17-7-8-18(19(26)13-17)24-28-20-11-15(12-23(30)31)3-9-21(20)32-24/h1-11,13H,12H2,(H,27,29)(H,30,31)/b10-4+
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n/an/a 398n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of heparanase


Eur J Med Chem 43: 548-56 (2008)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50147537
PNG
(2-(5-(5-(4-fluorophenyl)benzo[d]oxazol-2-yl)-2-met...)
Show SMILES COc1ccc(cc1N1C(=O)c2ccc(cc2C1=O)C(O)=O)-c1nc2cc(ccc2o1)-c1ccc(F)cc1
Show InChI InChI=1S/C29H17FN2O6/c1-37-25-11-6-17(14-23(25)32-27(33)20-9-4-18(29(35)36)12-21(20)28(32)34)26-31-22-13-16(5-10-24(22)38-26)15-2-7-19(30)8-3-15/h2-14H,1H3,(H,35,36)
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n/an/a 398n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of heparanase


Eur J Med Chem 43: 548-56 (2008)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50165636
PNG
(2-(4-(5-(4-(3-(4-bromophenyl)acrylamido)-2-chlorop...)
Show SMILES OC(=O)Cc1nc(cs1)-c1ccc(o1)-c1ccc(NC(=O)\C=C\c2ccc(Br)cc2)cc1Cl
Show InChI InChI=1S/C24H16BrClN2O4S/c25-15-4-1-14(2-5-15)3-10-22(29)27-16-6-7-17(18(26)11-16)20-8-9-21(32-20)19-13-33-23(28-19)12-24(30)31/h1-11,13H,12H2,(H,27,29)(H,30,31)/b10-3+
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n/an/a 398n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of heparanase


Eur J Med Chem 43: 548-56 (2008)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50147522
PNG
(2-(4-(butylamino)-3-(5-phenylbenzo[d]oxazol-2-yl)p...)
Show SMILES CCCCNc1ccc(cc1-c1nc2cc(ccc2o1)-c1ccccc1)N1C(=O)c2ccc(cc2C1=O)C(O)=O
Show InChI InChI=1S/C32H25N3O5/c1-2-3-15-33-26-13-11-22(35-30(36)23-12-9-21(32(38)39)16-24(23)31(35)37)18-25(26)29-34-27-17-20(10-14-28(27)40-29)19-7-5-4-6-8-19/h4-14,16-18,33H,2-3,15H2,1H3,(H,38,39)
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n/an/a 398n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of heparanase


Eur J Med Chem 43: 548-56 (2008)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50147533
PNG
(2-(5-(5-(3,5-difluorophenyl)benzo[d]oxazol-2-yl)-2...)
Show SMILES COc1ccc(cc1N1C(=O)c2ccc(cc2C1=O)C(O)=O)-c1nc2cc(ccc2o1)-c1cc(F)cc(F)c1
Show InChI InChI=1S/C29H16F2N2O6/c1-38-25-7-4-15(12-23(25)33-27(34)20-5-2-16(29(36)37)10-21(20)28(33)35)26-32-22-11-14(3-6-24(22)39-26)17-8-18(30)13-19(31)9-17/h2-13H,1H3,(H,36,37)
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n/an/a 398n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of heparanase


Eur J Med Chem 43: 548-56 (2008)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50147544
PNG
(2-(2-methoxy-5-(5-(4-(trifluoromethoxy)phenyl)benz...)
Show SMILES COc1ccc(cc1N1C(=O)c2ccc(cc2C1=O)C(O)=O)-c1nc2cc(ccc2o1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C30H17F3N2O7/c1-40-25-11-6-17(14-23(25)35-27(36)20-9-4-18(29(38)39)12-21(20)28(35)37)26-34-22-13-16(5-10-24(22)41-26)15-2-7-19(8-3-15)42-30(31,32)33/h2-14H,1H3,(H,38,39)
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n/an/a 398n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of heparanase


Eur J Med Chem 43: 548-56 (2008)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50165663
PNG
((2-{4-[2-(4-Bromo-phenylcarbamoyl)-vinyl]-2-fluoro...)
Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(\C=C\C(=O)Nc2ccc(Br)cc2)cc1F
Show InChI InChI=1S/C24H16BrFN2O4/c25-16-4-6-17(7-5-16)27-22(29)10-3-14-1-8-18(19(26)11-14)24-28-20-12-15(13-23(30)31)2-9-21(20)32-24/h1-12H,13H2,(H,27,29)(H,30,31)/b10-3+
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n/an/a 398n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of heparanase


Eur J Med Chem 43: 548-56 (2008)

More data for this
Ligand-Target Pair
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