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BDBM50431650 CHEMBL2349235

SMILES: CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1N1CCOCC1

InChI Key: InChIKey=JVLKBXBHWFAAHE-UHFFFAOYSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50431650   
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))		BDBM50431650
PNG
(CHEMBL2349235)
Show SMILES CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1N1CCOCC1
Show InChI InChI=1S/C24H29ClN4O/c1-3-28(4-2)17-18-15-20(6-8-24(18)29-11-13-30-14-12-29)27-22-9-10-26-23-16-19(25)5-7-21(22)23/h5-10,15-16H,3-4,11-14,17H2,1-2H3,(H,26,27)
PDB

KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.39E+5n/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