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BDBM50173144 4-[3-Chloro-4-(2-chloro-6-fluoro-benzyloxy)-phenylcarbamoyl]-2,5-dihydro-furan-3-carboxylic acid::CHEMBL193371

SMILES: OC(=O)C1=C(COC1)C(=O)Nc1ccc(OCc2c(F)cccc2Cl)c(Cl)c1

InChI Key: InChIKey=GOGSHDUZMWCNCO-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50173144   
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
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50173144
PNG
(4-[3-Chloro-4-(2-chloro-6-fluoro-benzyloxy)-phenyl...)
Show SMILES OC(=O)C1=C(COC1)C(=O)Nc1ccc(OCc2c(F)cccc2Cl)c(Cl)c1 |t:3|
Show InChI InChI=1S/C19H14Cl2FNO5/c20-14-2-1-3-16(22)13(14)9-28-17-5-4-10(6-15(17)21)23-18(24)11-7-27-8-12(11)19(25)26/h1-6H,7-9H2,(H,23,24)(H,25,26)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 41n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of N-terminally truncated recombinant human dihydroorotate dehydrogenase using in vitro enzyme assay


Bioorg Med Chem Lett 15: 4854-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.053
BindingDB Entry DOI: 10.7270/Q2HX1C7N
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Rattus norvegicus (rat))
BDBM50173144
PNG
(4-[3-Chloro-4-(2-chloro-6-fluoro-benzyloxy)-phenyl...)
Show SMILES OC(=O)C1=C(COC1)C(=O)Nc1ccc(OCc2c(F)cccc2Cl)c(Cl)c1 |t:3|
Show InChI InChI=1S/C19H14Cl2FNO5/c20-14-2-1-3-16(22)13(14)9-28-17-5-4-10(6-15(17)21)23-18(24)11-7-27-8-12(11)19(25)26/h1-6H,7-9H2,(H,23,24)(H,25,26)
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n/an/a 1.20E+3n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibitory activity against rat dihydroorotate dehydrogenase


Bioorg Med Chem Lett 15: 4854-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.053
BindingDB Entry DOI: 10.7270/Q2HX1C7N
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Mus musculus)
BDBM50173144
PNG
(4-[3-Chloro-4-(2-chloro-6-fluoro-benzyloxy)-phenyl...)
Show SMILES OC(=O)C1=C(COC1)C(=O)Nc1ccc(OCc2c(F)cccc2Cl)c(Cl)c1 |t:3|
Show InChI InChI=1S/C19H14Cl2FNO5/c20-14-2-1-3-16(22)13(14)9-28-17-5-4-10(6-15(17)21)23-18(24)11-7-27-8-12(11)19(25)26/h1-6H,7-9H2,(H,23,24)(H,25,26)
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MMDB

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PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse dihydroorotate dehydrogenase


Bioorg Med Chem Lett 15: 4854-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.053
BindingDB Entry DOI: 10.7270/Q2HX1C7N
More data for this
Ligand-Target Pair