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BDBM50431643 CHEMBL319756

SMILES: CN(C)CCNCc1cc(NC(=O)CN2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc23)c1

InChI Key: InChIKey=ABGNTYKAEGHSCJ-UHFFFAOYSA-N

Data: 1 Kd

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50431643   
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))
BDBM50431643
PNG
(CHEMBL319756)
Show SMILES CN(C)CCNCc1cc(NC(=O)CN2CCCCC2)cc(Nc2ccnc3cc(Cl)ccc23)c1
Show InChI InChI=1S/C27H35ClN6O/c1-33(2)13-10-29-18-20-14-22(31-25-8-9-30-26-16-21(28)6-7-24(25)26)17-23(15-20)32-27(35)19-34-11-4-3-5-12-34/h6-9,14-17,29H,3-5,10-13,18-19H2,1-2H3,(H,30,31)(H,32,35)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 6.39E+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