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BDBM50431645 CHEMBL96248

SMILES: Clc1ccc2c(Nc3cc(COC(=O)CN4CCCCC4)cc(NC(=O)CN4CCCCC4)c3)ccnc2c1

InChI Key: InChIKey=KELBGYUMHHRSDV-UHFFFAOYSA-N

Data: 1 Kd

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50431645   
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))		BDBM50431645
PNG
(CHEMBL96248)
Show SMILES Clc1ccc2c(Nc3cc(COC(=O)CN4CCCCC4)cc(NC(=O)CN4CCCCC4)c3)ccnc2c1
Show InChI InChI=1S/C30H36ClN5O3/c31-23-7-8-26-27(9-10-32-28(26)17-23)33-24-15-22(21-39-30(38)20-36-13-5-2-6-14-36)16-25(18-24)34-29(37)19-35-11-3-1-4-12-35/h7-10,15-18H,1-6,11-14,19-21H2,(H,32,33)(H,34,37)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 7.90E+4n/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
Binding affinity to recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance assa...

Bioorg Med Chem 21: 1944-51 (2013)


Article DOI: 10.1016/j.bmc.2013.01.033
BindingDB Entry DOI: 10.7270/Q2HQ419G
More data for this
Ligand-Target Pair