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BDBM50175939 1,3-bis-[4-(1H-benzoimidazol-2-yl)phenyl]urea::CHEMBL380606

SMILES: O=C(Nc1ccc(cc1)-c1nc2ccccc2[nH]1)Nc1ccc(cc1)-c1nc2ccccc2[nH]1

InChI Key: InChIKey=BQLOPROPJDPFEX-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50175939   
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))
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)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 270n/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)


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


(Homo sapiens (Human))
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)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 270n/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)


Article DOI: 10.1016/j.bmcl.2005.09.069
BindingDB Entry DOI: 10.7270/Q2ST7PDB
More data for this
Ligand-Target Pair