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SMILES: COc1ccc(cc1)-n1nc(cc1C(=O)Nc1ccc(cc1)C(=O)N1CCCC1)C(=O)NCC(C)C

InChI Key: InChIKey=URPLNKAYRLRCGE-UHFFFAOYSA-N

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

Found 2 hits for monomerid = 50119491   
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))
BDBM50119491
PNG
(1-(4-Methoxy-phenyl)-1H-pyrazole-3,5-dicarboxylic ...)
Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Nc1ccc(cc1)C(=O)N1CCCC1)C(=O)NCC(C)C
Show InChI InChI=1S/C27H31N5O4/c1-18(2)17-28-25(33)23-16-24(32(30-23)21-10-12-22(36-3)13-11-21)26(34)29-20-8-6-19(7-9-20)27(35)31-14-4-5-15-31/h6-13,16,18H,4-5,14-15,17H2,1-3H3,(H,28,33)(H,29,34)
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PC cid
PC sid
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Similars

PubMed
138n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of dihydroorotate dehydrogenase (DHODase) of Helicobacter pylori


J Med Chem 45: 4669-78 (2002)


BindingDB Entry DOI: 10.7270/Q2C24VSW
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50119491
PNG
(1-(4-Methoxy-phenyl)-1H-pyrazole-3,5-dicarboxylic ...)
Show SMILES COc1ccc(cc1)-n1nc(cc1C(=O)Nc1ccc(cc1)C(=O)N1CCCC1)C(=O)NCC(C)C
Show InChI InChI=1S/C27H31N5O4/c1-18(2)17-28-25(33)23-16-24(32(30-23)21-10-12-22(36-3)13-11-21)26(34)29-20-8-6-19(7-9-20)27(35)31-14-4-5-15-31/h6-13,16,18H,4-5,14-15,17H2,1-3H3,(H,28,33)(H,29,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
>5.00E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase (DHODase)


J Med Chem 45: 4669-78 (2002)


BindingDB Entry DOI: 10.7270/Q2C24VSW
More data for this
Ligand-Target Pair