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Compile Data Set for Download or QSAR

Found 332 hits Enz. Inhib. hit(s) with Target = 'Heparanase' 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
Heparanase


(Homo sapiens)
BDBM50388329
PNG
(CHEMBL2059500)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OCc1cn(nn1)[C@@H]1O[C@H](COS([O-])(=O)=O)[C@@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]4OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]3OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]2OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]1OS([O-])(=O)=O
Show InChI InChI=1S/C54H91N3O60S13/c1-24(2)7-6-8-25(3)30-11-12-31-29-10-9-26-17-28(13-15-53(26,4)32(29)14-16-54(30,31)5)97-19-27-18-57(56-55-27)49-45(114-127(85,86)87)41(110-123(73,74)75)37(33(102-49)20-98-118(58,59)60)106-50-46(115-128(88,89)90)42(111-124(76,77)78)38(34(103-50)21-99-119(61,62)63)107-51-47(116-129(91,92)93)43(112-125(79,80)81)39(35(104-51)22-100-120(64,65)66)108-52-48(117-130(94,95)96)44(113-126(82,83)84)40(109-122(70,71)72)36(105-52)23-101-121(67,68)69/h18,24-26,28-52H,6-17,19-23H2,1-5H3,(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H,91,92,93)(H,94,95,96)/p-13/t25-,26+,28+,29+,30-,31+,32+,33-,34-,35-,36-,37-,38-,39-,40-,41+,42+,43+,44+,45-,46-,47-,48-,49-,50-,51-,52-,53+,54-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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3.70n/an/an/an/an/an/an/an/a



Progen Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant heparanase after 2 to 24 hrs by WST1 dye based fondaparinux assay


J Med Chem 55: 3804-13 (2012)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens)
BDBM50388343
PNG
(CHEMBL2059243)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OCc1cn(CCCO[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]2O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]5O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]5OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)nn1
Show InChI InChI=1S/C63H107N3O75S16/c1-28(2)8-6-9-29(3)34-12-13-35-33-11-10-30-20-32(14-16-62(30,4)36(33)15-17-63(34,35)5)116-22-31-21-66(65-64-31)18-7-19-115-57-52(50(136-152(97,98)99)45(134-150(91,92)93)40(122-57)26-120-145(76,77)78)130-60-55(140-156(109,110)111)49(44(133-149(88,89)90)39(125-60)25-119-144(73,74)75)128-58-53(138-154(103,104)105)47(42(131-147(82,83)84)37(123-58)23-117-142(67,68)69)127-59-54(139-155(106,107)108)48(43(132-148(85,86)87)38(124-59)24-118-143(70,71)72)129-61-56(141-157(112,113)114)51(137-153(100,101)102)46(135-151(94,95)96)41(126-61)27-121-146(79,80)81/h21,28-30,32-61H,6-20,22-27H2,1-5H3,(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H,97,98,99)(H,100,101,102)(H,103,104,105)(H,106,107,108)(H,109,110,111)(H,112,113,114)/p-16/t29-,30+,32+,33+,34-,35+,36+,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58-,59-,60-,61-,62+,63-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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CHEMBL
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PC sid
UniChem

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Article
PubMed
5.5n/an/an/an/an/an/an/an/a



Progen Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant heparanase after 2 to 24 hrs by WST1 dye based fondaparinux assay


J Med Chem 55: 3804-13 (2012)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens)
BDBM50388341
PNG
(CHEMBL2059241)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1O[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](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O
Show InChI InChI=1S/C51H88O60S13/c1-22(2)7-6-8-23(3)27-11-12-28-26-10-9-24-17-25(13-15-50(24,4)29(26)14-16-51(27,28)5)95-46-42(40(107-120(76,77)78)36(105-118(70,71)72)32(96-46)20-93-114(58,59)60)102-48-44(110-123(85,86)87)39(35(104-117(67,68)69)31(98-48)19-92-113(55,56)57)100-47-43(109-122(82,83)84)38(34(103-116(64,65)66)30(97-47)18-91-112(52,53)54)101-49-45(111-124(88,89)90)41(108-121(79,80)81)37(106-119(73,74)75)33(99-49)21-94-115(61,62)63/h22-49H,6-21H2,1-5H3,(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)/p-13/t23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35-,36-,37-,38+,39+,40+,41+,42+,43+,44+,45+,46+,47-,48-,49-,50+,51-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
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PC sid
UniChem

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Article
PubMed
5.80n/an/an/an/an/an/an/an/a



Progen Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant heparanase after 2 to 24 hrs by WST1 dye based fondaparinux assay


J Med Chem 55: 3804-13 (2012)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens)
BDBM50388342
PNG
(CHEMBL2059242)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)NCCCO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1O[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](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O
Show InChI InChI=1S/C45H83NO61S13/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-29(47)46-19-17-20-87-42-38(36(103-116(72,73)74)32(101-114(66,67)68)27(92-42)23-90-110(54,55)56)98-44-40(106-119(81,82)83)35(31(100-113(63,64)65)26(94-44)22-89-109(51,52)53)96-43-39(105-118(78,79)80)34(30(99-112(60,61)62)25(93-43)21-88-108(48,49)50)97-45-41(107-120(84,85)86)37(104-117(75,76)77)33(102-115(69,70)71)28(95-45)24-91-111(57,58)59/h25-28,30-45H,2-24H2,1H3,(H,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)/p-13/t25-,26-,27-,28-,30-,31-,32-,33-,34+,35+,36+,37+,38+,39+,40+,41+,42+,43-,44-,45-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
6n/an/an/an/an/an/an/an/a



Progen Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant heparanase after 2 to 24 hrs by WST1 dye based fondaparinux assay


J Med Chem 55: 3804-13 (2012)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens)
BDBM50388331
PNG
(CHEMBL2059499)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]1O[C@H](COS([O-])(=O)=O)[C@@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]4OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]3OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]2OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]1OS([O-])(=O)=O
Show InChI InChI=1S/C51H88O60S13/c1-22(2)7-6-8-23(3)27-11-12-28-26-10-9-24-17-25(13-15-50(24,4)29(26)14-16-51(27,28)5)95-46-42(108-121(79,80)81)38(104-117(67,68)69)34(30(96-46)18-91-112(52,53)54)100-47-43(109-122(82,83)84)39(105-118(70,71)72)35(31(97-47)19-92-113(55,56)57)101-48-44(110-123(85,86)87)40(106-119(73,74)75)36(32(98-48)20-93-114(58,59)60)102-49-45(111-124(88,89)90)41(107-120(76,77)78)37(103-116(64,65)66)33(99-49)21-94-115(61,62)63/h22-49H,6-21H2,1-5H3,(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)/p-13/t23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35-,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,46-,47-,48-,49-,50+,51-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
6.10n/an/an/an/an/an/an/an/a



Progen Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant heparanase after 2 to 24 hrs by WST1 dye based fondaparinux assay


J Med Chem 55: 3804-13 (2012)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens)
BDBM50388345
PNG
(CHEMBL2059245)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1O[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/C45H78O46S10/c1-21(2)7-6-8-22(3)26-11-12-27-25-10-9-23-17-24(13-15-44(23,4)28(25)14-16-45(26,27)5)79-41-38(36(88-98(64,65)66)33(86-96(58,59)60)30(80-41)19-77-93(49,50)51)84-42-39(90-100(70,71)72)35(32(85-95(55,56)57)29(81-42)18-76-92(46,47)48)83-43-40(91-101(73,74)75)37(89-99(67,68)69)34(87-97(61,62)63)31(82-43)20-78-94(52,53)54/h21-43H,6-20H2,1-5H3,(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)/p-10/t22-,23+,24+,25+,26-,27+,28+,29-,30-,31-,32-,33-,34-,35+,36+,37+,38+,39+,40+,41+,42-,43-,44+,45-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
6.40n/an/an/an/an/an/an/an/a



Progen Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant heparanase after 2 to 24 hrs by WST1 dye based fondaparinux assay


J Med Chem 55: 3804-13 (2012)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens)
BDBM50378647
PNG
(CHEMBL1627122 | PI-88)
Show SMILES [O-]P([O-])(=O)OC[C@H]1O[C@H](O[C@H]2[C@H](OS([O-])(=O)=O)[C@@H](COS([O-])(=O)=O)O[C@H](O[C@H]3[C@H](OS([O-])(=O)=O)[C@@H](COS([O-])(=O)=O)O[C@H](O[C@H]4[C@H](OS([O-])(=O)=O)[C@@H](COS([O-])(=O)=O)O[C@H](O[C@@H]5[C@@H](OS([O-])(=O)=O)O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]5OS([O-])(=O)=O)[C@H]4OS([O-])(=O)=O)[C@H]3OS([O-])(=O)=O)[C@H]2OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O
Show InChI InChI=1S/C30H53O77PS16/c31-108(32,33)82-1-6-14(99-116(55,56)57)20(102-119(64,65)66)25(106-123(76,77)78)29(87-6)94-17-12(97-114(49,50)51)8(3-84-110(37,38)39)89-27(23(17)104-121(70,71)72)92-16-11(96-113(46,47)48)7(2-83-109(34,35)36)88-26(22(16)103-120(67,68)69)93-18-13(98-115(52,53)54)9(4-85-111(40,41)42)90-28(24(18)105-122(73,74)75)95-21-19(101-118(61,62)63)15(100-117(58,59)60)10(5-86-112(43,44)45)91-30(21)107-124(79,80)81/h6-30H,1-5H2,(H2,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)/p-18/t6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26-,27-,28-,29-,30-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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PubMed
7.90n/an/an/an/an/an/an/an/a



Progen Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant heparanase after 2 to 24 hrs by WST1 dye based fondaparinux assay


J Med Chem 55: 3804-13 (2012)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens)
BDBM50388332
PNG
(CHEMBL2059498)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OCc1cn(CCCO[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)nn1
Show InChI InChI=1S/C51H87N3O47S10/c1-26(2)8-6-9-27(3)32-12-13-33-31-11-10-28-20-30(14-16-50(28,4)34(31)15-17-51(32,33)5)86-22-29-21-54(53-52-29)18-7-19-85-47-44(99-109(76,77)78)41(38(95-105(64,65)66)35(90-47)23-87-102(55,56)57)93-48-45(100-110(79,80)81)42(39(96-106(67,68)69)36(91-48)24-88-103(58,59)60)94-49-46(101-111(82,83)84)43(98-108(73,74)75)40(97-107(70,71)72)37(92-49)25-89-104(61,62)63/h21,26-28,30-49H,6-20,22-25H2,1-5H3,(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)/p-10/t27-,28+,30+,31+,32-,33+,34+,35-,36-,37-,38-,39-,40-,41+,42+,43+,44+,45+,46+,47+,48-,49-,50+,51-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
8.40n/an/an/an/an/an/an/an/a



Progen Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant heparanase after 2 to 24 hrs by WST1 dye based fondaparinux assay


J Med Chem 55: 3804-13 (2012)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens)
BDBM50388346
PNG
(CHEMBL2059246)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OCc1cn(CCCO[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]2O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)nn1
Show InChI InChI=1S/C51H87N3O47S10/c1-26(2)8-6-9-27(3)32-12-13-33-31-11-10-28-20-30(14-16-50(28,4)34(31)15-17-51(32,33)5)86-22-29-21-54(53-52-29)18-7-19-85-47-44(42(98-108(73,74)75)39(96-106(67,68)69)36(90-47)24-88-103(58,59)60)94-48-45(100-110(79,80)81)41(38(95-105(64,65)66)35(91-48)23-87-102(55,56)57)93-49-46(101-111(82,83)84)43(99-109(76,77)78)40(97-107(70,71)72)37(92-49)25-89-104(61,62)63/h21,26-28,30-49H,6-20,22-25H2,1-5H3,(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)/p-10/t27-,28+,30+,31+,32-,33+,34+,35-,36-,37-,38-,39-,40-,41+,42+,43+,44+,45+,46+,47+,48-,49-,50+,51-/m1/s1
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8.5n/an/an/an/an/an/an/an/a



Progen Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant heparanase after 2 to 24 hrs by WST1 dye based fondaparinux assay


J Med Chem 55: 3804-13 (2012)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens)
BDBM50388335
PNG
(CHEMBL2059503)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]1O[C@H](COS([O-])(=O)=O)[C@@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]3OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]2OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]1OS([O-])(=O)=O
Show InChI InChI=1S/C45H78O46S10/c1-21(2)7-6-8-22(3)26-11-12-27-25-10-9-23-17-24(13-15-44(23,4)28(25)14-16-45(26,27)5)79-41-38(89-99(67,68)69)35(86-96(58,59)60)32(29(80-41)18-76-92(46,47)48)83-42-39(90-100(70,71)72)36(87-97(61,62)63)33(30(81-42)19-77-93(49,50)51)84-43-40(91-101(73,74)75)37(88-98(64,65)66)34(85-95(55,56)57)31(82-43)20-78-94(52,53)54/h21-43H,6-20H2,1-5H3,(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)/p-10/t22-,23+,24+,25+,26-,27+,28+,29-,30-,31-,32-,33-,34-,35+,36+,37+,38-,39-,40-,41-,42-,43-,44+,45-/m1/s1
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9.10n/an/an/an/an/an/an/an/a



Progen Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant heparanase after 2 to 24 hrs by WST1 dye based fondaparinux assay


J Med Chem 55: 3804-13 (2012)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens)
BDBM50388336
PNG
(CHEMBL2059504)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)NCCCO[C@@H]1O[C@H](COS([O-])(=O)=O)[C@@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]4OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]3OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]2OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]1OS([O-])(=O)=O
Show InChI InChI=1S/C45H83NO61S13/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-29(47)46-19-17-20-87-42-38(104-117(75,76)77)34(100-113(63,64)65)30(25(92-42)21-88-108(48,49)50)96-43-39(105-118(78,79)80)35(101-114(66,67)68)31(26(93-43)22-89-109(51,52)53)97-44-40(106-119(81,82)83)36(102-115(69,70)71)32(27(94-44)23-90-110(54,55)56)98-45-41(107-120(84,85)86)37(103-116(72,73)74)33(99-112(60,61)62)28(95-45)24-91-111(57,58)59/h25-28,30-45H,2-24H2,1H3,(H,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)/p-13/t25-,26-,27-,28-,30-,31-,32-,33-,34+,35+,36+,37+,38-,39-,40-,41-,42-,43-,44-,45-/m1/s1
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9.10n/an/an/an/an/an/an/an/a



Progen Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant heparanase after 2 to 24 hrs by WST1 dye based fondaparinux assay


J Med Chem 55: 3804-13 (2012)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens)
BDBM50388330
PNG
(CHEMBL2059247)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[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](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O
Show InChI InChI=1S/C45H78O46S10/c1-21(2)7-6-8-22(3)26-11-12-27-25-10-9-23-17-24(13-15-44(23,4)28(25)14-16-45(26,27)5)79-41-38(89-99(67,68)69)35(32(85-95(55,56)57)29(80-41)18-76-92(46,47)48)83-42-39(90-100(70,71)72)36(33(86-96(58,59)60)30(81-42)19-77-93(49,50)51)84-43-40(91-101(73,74)75)37(88-98(64,65)66)34(87-97(61,62)63)31(82-43)20-78-94(52,53)54/h21-43H,6-20H2,1-5H3,(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)/p-10/t22-,23+,24+,25+,26-,27+,28+,29-,30-,31-,32-,33-,34-,35+,36+,37+,38+,39+,40+,41+,42-,43-,44+,45-/m1/s1
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10.5n/an/an/an/an/an/an/an/a



Progen Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant heparanase after 2 to 24 hrs by WST1 dye based fondaparinux assay


J Med Chem 55: 3804-13 (2012)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens)
BDBM50388328
PNG
(CHEMBL2059505)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)NCCCO[C@@H]1O[C@H](COS([O-])(=O)=O)[C@@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]3OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]2OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]1OS([O-])(=O)=O
Show InChI InChI=1S/C39H73NO47S10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-27(41)40-19-17-20-72-37-34(85-95(63,64)65)31(82-92(54,55)56)28(24(76-37)21-73-88(42,43)44)79-38-35(86-96(66,67)68)32(83-93(57,58)59)29(25(77-38)22-74-89(45,46)47)80-39-36(87-97(69,70)71)33(84-94(60,61)62)30(81-91(51,52)53)26(78-39)23-75-90(48,49)50/h24-26,28-39H,2-23H2,1H3,(H,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)/p-10/t24-,25-,26-,28-,29-,30-,31+,32+,33+,34-,35-,36-,37-,38-,39-/m1/s1
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11.3n/an/an/an/an/an/an/an/a



Progen Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant heparanase after 2 to 24 hrs by WST1 dye based fondaparinux assay


J Med Chem 55: 3804-13 (2012)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens)
BDBM50388334
PNG
(CHEMBL2059501)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OCc1cn(nn1)[C@@H]1O[C@H](COS([O-])(=O)=O)[C@@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]3OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]2OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]1OS([O-])(=O)=O
Show InChI InChI=1S/C48H83N3O46S10/c1-23(2)7-6-8-24(3)29-11-12-30-28-10-9-25-17-27(13-15-47(25,4)31(28)14-16-48(29,30)5)82-19-26-18-51(50-49-26)44-41(95-105(73,74)75)38(92-102(64,65)66)35(32(86-44)20-83-98(52,53)54)89-45-42(96-106(76,77)78)39(93-103(67,68)69)36(33(87-45)21-84-99(55,56)57)90-46-43(97-107(79,80)81)40(94-104(70,71)72)37(91-101(61,62)63)34(88-46)22-85-100(58,59)60/h18,23-25,27-46,101H,6-17,19-22H2,1-5H3,(H,52,53,54)(H,55,56,57)(H,58,59,60)(H2,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)/p-10/t24-,25+,27+,28+,29-,30+,31+,32-,33-,34-,35-,36-,37-,38+,39+,40+,41-,42-,43-,44-,45-,46-,47+,48-/m1/s1
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16n/an/an/an/an/an/an/an/a



Progen Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant heparanase after 2 to 24 hrs by WST1 dye based fondaparinux assay


J Med Chem 55: 3804-13 (2012)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens)
BDBM50388333
PNG
(CHEMBL2059502)
Show SMILES C[C@H](CCC(=O)N[C@@H]1O[C@H](COS([O-])(=O)=O)[C@@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]4OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]3OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]2OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@H]1OS([O-])(=O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]12C)OS([O-])(=O)=O
Show InChI InChI=1S/C50H83NO66S14/c1-19(24-8-9-25-23-7-6-21-13-22(108-122(66,67)68)11-12-49(21,3)26(23)14-31(50(24,25)4)100-20(2)52)5-10-32(53)51-45-41(114-128(84,85)86)37(110-124(72,73)74)33(27(101-45)15-96-118(54,55)56)105-46-42(115-129(87,88)89)38(111-125(75,76)77)34(28(102-46)16-97-119(57,58)59)106-47-43(116-130(90,91)92)39(112-126(78,79)80)35(29(103-47)17-98-120(60,61)62)107-48-44(117-131(93,94)95)40(113-127(81,82)83)36(109-123(69,70)71)30(104-48)18-99-121(63,64)65/h19,21-31,33-48H,5-18H2,1-4H3,(H,51,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H,93,94,95)/p-14/t19-,21+,22+,23+,24-,25+,26+,27-,28-,29-,30-,31+,33-,34-,35-,36-,37+,38+,39+,40+,41-,42-,43-,44-,45-,46-,47-,48-,49+,50-/m1/s1
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20n/an/an/an/an/an/an/an/a



Progen Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant heparanase after 2 to 24 hrs by WST1 dye based fondaparinux assay


J Med Chem 55: 3804-13 (2012)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens)
BDBM50388344
PNG
(CHEMBL2059244)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1O[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O
Show InChI InChI=1S/C39H68O32S7/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-17-23(13-15-38(22,4)27(24)14-16-39(25,26)5)63-36-34(32(69-76(52,53)54)30(67-74(46,47)48)28(64-36)18-61-72(40,41)42)66-37-35(71-78(58,59)60)33(70-77(55,56)57)31(68-75(49,50)51)29(65-37)19-62-73(43,44)45/h20-37H,6-19H2,1-5H3,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)/p-7/t21-,22+,23+,24+,25-,26+,27+,28-,29-,30-,31-,32+,33+,34+,35+,36+,37-,38+,39-/m1/s1
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22.3n/an/an/an/an/an/an/an/a



Progen Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant heparanase after 2 to 24 hrs by WST1 dye based fondaparinux assay


J Med Chem 55: 3804-13 (2012)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens)
BDBM50388340
PNG
(CHEMBL2059510)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OCc1cn(nn1)[C@@H]1O[C@H](COS([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](OS([O-])(=O)=O)[C@H]1OS([O-])(=O)=O
Show InChI InChI=1S/C42H71N3O32S7/c1-22(2)7-6-8-23(3)28-11-12-29-27-10-9-24-17-26(13-15-41(24,4)30(27)14-16-42(28,29)5)67-19-25-18-45(44-43-25)39-37(76-83(61,62)63)35(74-81(55,56)57)33(31(70-39)20-68-78(46,47)48)72-40-38(77-84(64,65)66)36(75-82(58,59)60)34(73-80(52,53)54)32(71-40)21-69-79(49,50)51/h18,22-24,26-40H,6-17,19-21H2,1-5H3,(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)/p-7/t23-,24+,26+,27+,28-,29+,30+,31-,32-,33-,34+,35+,36+,37-,38-,39-,40+,41+,42-/m1/s1
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30n/an/an/an/an/an/an/an/a



Progen Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant heparanase after 2 to 24 hrs by WST1 dye based fondaparinux assay


J Med Chem 55: 3804-13 (2012)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens)
BDBM50388338
PNG
(CHEMBL2059508)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O
Show InChI InChI=1S/C33H58O18S4/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(13-15-32(21,4)26(23)14-16-33(24,25)5)47-31-30(51-55(43,44)45)29(50-54(40,41)42)28(49-53(37,38)39)27(48-31)18-46-52(34,35)36/h19-31H,6-18H2,1-5H3,(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)/p-4/t20-,21+,22+,23+,24-,25+,26+,27-,28-,29+,30+,31+,32+,33-/m1/s1
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111n/an/an/an/an/an/an/an/a



Progen Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant heparanase after 2 to 24 hrs by WST1 dye based fondaparinux assay


J Med Chem 55: 3804-13 (2012)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens)
BDBM50375292
PNG
(CHEMBL407200)
Show SMILES [O-]S(=O)(=O)OC[C@H]1O[C@H](O[C@@H]2C(OS([O-])(=O)=O)O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]2OS([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](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O
Show InChI InChI=1S/C24H42O63S14/c25-88(26,27)67-1-5-9(78-92(37,38)39)13(76-23-20(86-100(61,62)63)16(83-97(52,53)54)12(81-95(46,47)48)7(73-23)3-69-90(31,32)33)18(84-98(55,56)57)21(71-5)75-14-10(79-93(40,41)42)6(2-68-89(28,29)30)72-22(19(14)85-99(58,59)60)77-17-15(82-96(49,50)51)11(80-94(43,44)45)8(4-70-91(34,35)36)74-24(17)87-101(64,65)66/h5-24H,1-4H2,(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)/p-14/t5-,6-,7-,8-,9-,10-,11-,12-,13+,14+,15+,16+,17+,18+,19+,20+,21-,22-,23-,24?/m1/s1
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200n/an/an/an/an/an/an/an/a



Progen Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human platelet heparanase by competitive binding assay


Bioorg Med Chem 16: 699-709 (2008)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens)
BDBM50375290
PNG
(CHEMBL279625)
Show SMILES [O-]S(=O)(=O)N[C@@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1O[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](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O
Show InChI InChI=1S/C24H43NO62S14/c26-88(27,28)25-21-17(15(83-97(53,54)55)11(81-95(47,48)49)5(72-21)1-68-89(29,30)31)78-23-19(86-100(62,63)64)14(10(80-94(44,45)46)7(74-23)3-70-91(35,36)37)76-22-18(85-99(59,60)61)13(9(79-93(41,42)43)6(73-22)2-69-90(32,33)34)77-24-20(87-101(65,66)67)16(84-98(56,57)58)12(82-96(50,51)52)8(75-24)4-71-92(38,39)40/h5-25H,1-4H2,(H,26,27,28)(H,29,30,31)(H,32,33,34)(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)/p-14/t5-,6-,7-,8-,9-,10-,11-,12-,13+,14+,15+,16+,17+,18+,19+,20+,21-,22-,23-,24-/m1/s1
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240n/an/an/an/an/an/an/an/a



Progen Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human platelet heparanase by competitive binding assay


Bioorg Med Chem 16: 699-709 (2008)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens)
BDBM50375291
PNG
(CHEMBL439118)
Show SMILES [O-]S(=O)(=O)OC[C@H]1O[C@H](O[C@@H]2C(OS([O-])(=O)=O)O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]2OS([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](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OC4O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O
Show InChI InChI=1S/C30H52O77S17/c31-108(32,33)82-1-6-11(96-113(46,47)48)16(92-27-23(104-121(70,71)72)17(12(97-114(49,50)51)7(88-27)2-83-109(34,35)36)94-29-25(106-123(76,77)78)20(102-119(64,65)66)15(100-117(58,59)60)9(90-29)4-85-111(40,41)42)22(103-120(67,68)69)26(87-6)93-18-13(98-115(52,53)54)8(3-84-110(37,38)39)89-28(24(18)105-122(73,74)75)95-21-19(101-118(61,62)63)14(99-116(55,56)57)10(5-86-112(43,44)45)91-30(21)107-124(79,80)81/h6-30H,1-5H2,(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)/p-17/t6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26-,27-,28-,29?,30?/m1/s1
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280n/an/an/an/an/an/an/an/a



Progen Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human platelet heparanase by competitive binding assay


Bioorg Med Chem 16: 699-709 (2008)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens)
BDBM50375287
PNG
(CHEMBL260220)
Show SMILES [O-]S(=O)(=O)OC[C@H]1O[C@H](O[C@@H]2C(OS([O-])(=O)=O)O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O
Show InChI InChI=1S/C12H22O35S8/c13-48(14,15)37-1-3-6(43-51(22,23)24)8(45-53(28,29)30)10(46-54(31,32)33)11(39-3)41-9-7(44-52(25,26)27)5(42-50(19,20)21)4(2-38-49(16,17)18)40-12(9)47-55(34,35)36/h3-12H,1-2H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)/p-8/t3-,4-,5-,6-,7+,8+,9+,10+,11-,12?/m1/s1
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2.23E+3n/an/an/an/an/an/an/an/a



Progen Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human platelet heparanase by competitive binding assay


Bioorg Med Chem 16: 699-709 (2008)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens)
BDBM50375287
PNG
(CHEMBL260220)
Show SMILES [O-]S(=O)(=O)OC[C@H]1O[C@H](O[C@@H]2C(OS([O-])(=O)=O)O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O
Show InChI InChI=1S/C12H22O35S8/c13-48(14,15)37-1-3-6(43-51(22,23)24)8(45-53(28,29)30)10(46-54(31,32)33)11(39-3)41-9-7(44-52(25,26)27)5(42-50(19,20)21)4(2-38-49(16,17)18)40-12(9)47-55(34,35)36/h3-12H,1-2H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)/p-8/t3-,4-,5-,6-,7+,8+,9+,10+,11-,12?/m1/s1
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6.83E+4n/an/an/an/an/an/an/an/a



Progen Pharmaceuticals Limited

Curated by ChEMBL


Assay Description
Inhibition of human platelet heparanase by uncompetitive binding assay


Bioorg Med Chem 16: 699-709 (2008)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens)
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)
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)
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)
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)
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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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)
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)
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)
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)
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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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)
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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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)
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)
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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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)
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)
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)
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)
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)
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)
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)
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)
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)
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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n/an/a 230n/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: 404-8 (2005)

More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens)
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)
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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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)
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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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)
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)
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)
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
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