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BDBM25725 1,3-diphenylurea::Urea-based compound, 7

SMILES: O=C(Nc1ccccc1)Nc1ccccc1

InChI Key: InChIKey=GWEHVDNNLFDJLR-UHFFFAOYSA-N

Data: 5 IC50

PDB links: 4 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 25725   
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
Epoxide Hydrolase B (EHB)


(Mycobacterium tuberculosis)
BDBM25725
PNG
(1,3-diphenylurea | Urea-based compound, 7)
Show SMILES O=C(Nc1ccccc1)Nc1ccccc1
Show InChI InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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Article
PubMed
n/an/a 19n/an/an/an/a7.030



University of Alberta



Assay Description
Enzyme activity was measured by monitoring the appearance of fluorescent product, 6-methoxy-naphthaldehyde (ex@330 nm and em@ 465 nm) on a SpectraMax...


J Mol Biol 381: 897-912 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM25725
PNG
(1,3-diphenylurea | Urea-based compound, 7)
Show SMILES O=C(Nc1ccccc1)Nc1ccccc1
Show InChI InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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Article
PubMed
n/an/a>6.60E+5n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of SYK expressed in Escherichia coli or baculovirus-infected insect cells by TR-FRET assay


J Med Chem 54: 5131-43 (2011)

More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM25725
PNG
(1,3-diphenylurea | Urea-based compound, 7)
Show SMILES O=C(Nc1ccccc1)Nc1ccccc1
Show InChI InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
PDB

KEGG

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PDB
Article
PubMed
n/an/a 400n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using (cyano(6-methoxy-naphthelen-2-yl)methyl trans-[(3-phenyl-oxiran-2-yl)methyl] carbonat...


Bioorg Med Chem Lett 23: 3818-21 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epoxide hydratase


(Homo sapiens (Human))
BDBM25725
PNG
(1,3-diphenylurea | Urea-based compound, 7)
Show SMILES O=C(Nc1ccccc1)Nc1ccccc1
Show InChI InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
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PDB
Article
PubMed
n/an/a 390n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay


Bioorg Med Chem 19: 5585-95 (2011)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epoxide Hydrolase B (EHB)


(Mycobacterium tuberculosis)
BDBM25725
PNG
(1,3-diphenylurea | Urea-based compound, 7)
Show SMILES O=C(Nc1ccccc1)Nc1ccccc1
Show InChI InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
PDB
Article
PubMed
n/an/a 19n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant EphB expressed in Escherichia coli BL21 using CMNPC as substrate after 30 mins by fluorescent as...


Bioorg Med Chem 19: 5585-95 (2011)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)