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BDBM25729 1,3-bis(3,4-dichlorophenyl)urea::CHEMBL10835::US8815951, 299::Urea-based compound, 10

SMILES: Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl

InChI Key: InChIKey=ZDPIZPXVHVYTOK-UHFFFAOYSA-N

Data: 6 IC50

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 6 hits for monomerid = 25729   
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)
BDBM25729
PNG
(1,3-bis(3,4-dichlorophenyl)urea | CHEMBL10835 | US...)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl
Show InChI InChI=1S/C13H8Cl4N2O/c14-9-3-1-7(5-11(9)16)18-13(20)19-8-2-4-10(15)12(17)6-8/h1-6H,(H2,18,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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Article
PubMed
n/an/a 480n/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)


Article DOI: 10.1016/j.jmb.2008.06.030
BindingDB Entry DOI: 10.7270/Q2D50K94
More data for this
Ligand-Target Pair
Epoxide hydrolase (MsEH)


(Mus musculus (Mouse))
BDBM25729
PNG
(1,3-bis(3,4-dichlorophenyl)urea | CHEMBL10835 | US...)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl
Show InChI InChI=1S/C13H8Cl4N2O/c14-9-3-1-7(5-11(9)16)18-13(20)19-8-2-4-10(15)12(17)6-8/h1-6H,(H2,18,19,20)
KEGG

UniProtKB/SwissProt

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PC sid
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n/an/a 700n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM25729
PNG
(1,3-bis(3,4-dichlorophenyl)urea | CHEMBL10835 | US...)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl
Show InChI InChI=1S/C13H8Cl4N2O/c14-9-3-1-7(5-11(9)16)18-13(20)19-8-2-4-10(15)12(17)6-8/h1-6H,(H2,18,19,20)
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Article
PubMed
n/an/a 28.1n/an/an/an/an/an/a



Colorado State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate assessed as appearance of 6-methoxy-2-naphthaldehyde after 10 mins...


Bioorg Med Chem 20: 3255-62 (2012)


Article DOI: 10.1016/j.bmc.2012.03.058
BindingDB Entry DOI: 10.7270/Q28W3FB2
More data for this
Ligand-Target Pair
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
BDBM25729
PNG
(1,3-bis(3,4-dichlorophenyl)urea | CHEMBL10835 | US...)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl
Show InChI InChI=1S/C13H8Cl4N2O/c14-9-3-1-7(5-11(9)16)18-13(20)19-8-2-4-10(15)12(17)6-8/h1-6H,(H2,18,19,20)
PDB

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PC sid
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Article
PubMed
n/an/a 708n/an/an/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibitory activity against murine soluble epoxide hydrolase


J Med Chem 46: 1066-80 (2003)


Article DOI: 10.1021/jm020269o
BindingDB Entry DOI: 10.7270/Q2GX49XM
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM25729
PNG
(1,3-bis(3,4-dichlorophenyl)urea | CHEMBL10835 | US...)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl
Show InChI InChI=1S/C13H8Cl4N2O/c14-9-3-1-7(5-11(9)16)18-13(20)19-8-2-4-10(15)12(17)6-8/h1-6H,(H2,18,19,20)
PDB

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CHEMBL
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UniChem

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Article
PubMed
n/an/a 257n/an/an/an/an/an/a



The Pennsylvania State University

Curated by ChEMBL


Assay Description
Inhibitory activity against human soluble epoxide hydrolase


J Med Chem 46: 1066-80 (2003)


Article DOI: 10.1021/jm020269o
BindingDB Entry DOI: 10.7270/Q2GX49XM
More data for this
Ligand-Target Pair
Epoxide hydrolase 1


(Homo sapiens (Human))
BDBM25729
PNG
(1,3-bis(3,4-dichlorophenyl)urea | CHEMBL10835 | US...)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl
Show InChI InChI=1S/C13H8Cl4N2O/c14-9-3-1-7(5-11(9)16)18-13(20)19-8-2-4-10(15)12(17)6-8/h1-6H,(H2,18,19,20)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

n/an/a 260n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
The invention also provide methods for assaying for epoxide hydrolase activity as diagnostic assay to identify individuals at increased risk for hype...


US Patent US8815951 (2014)


BindingDB Entry DOI: 10.7270/Q2BP01G9
More data for this
Ligand-Target Pair