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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50388342   
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
Heparanase


(Homo sapiens (Human))		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 |r|
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
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Similars
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)


Article DOI: 10.1021/jm201708h
BindingDB Entry DOI: 10.7270/Q2G161WN
More data for this
Ligand-Target Pair