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3 similar compounds to monomer 50149347

Compile data set for download or QSAR
Wt: 124.1
BDBM36010
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Wt: 138.2
BDBM84671
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Wt: 152.2
BDBM50149348
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 36010,84671,50149348   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 2A6


(Homo sapiens (Human))
BDBM36010
PNG
(1-Subsituted 1H-imidazole, 2 | 1-butylimidazole)
Show SMILES CCCCn1ccnc1
Show InChI InChI=1S/C7H12N2/c1-2-3-5-9-6-4-8-7-9/h4,6-7H,2-3,5H2,1H3
PDB
MMDB

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Article
PubMed
n/an/a 8.60E+4n/an/an/an/a7.637



University of Basel



Assay Description
Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.


Chembiochem 10: 1562-7 (2009)


Article DOI: 10.1002/cbic.200800712
BindingDB Entry DOI: 10.7270/Q2R78CR9
More data for this
Ligand-Target Pair
Cytochrome P450 2A6


(Homo sapiens (Human))
BDBM84671
PNG
(1-Subsituted 1H-imidazole, 7)
Show SMILES CC(C)CCn1ccnc1
Show InChI InChI=1S/C8H14N2/c1-8(2)3-5-10-6-4-9-7-10/h4,6-8H,3,5H2,1-2H3
PDB
MMDB

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Article
PubMed
n/an/a 3.10E+3n/an/an/an/a7.637



University of Basel



Assay Description
Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.


Chembiochem 10: 1562-7 (2009)


Article DOI: 10.1002/cbic.200800712
BindingDB Entry DOI: 10.7270/Q2R78CR9
More data for this
Ligand-Target Pair
Cytochrome P450-cam


(Pseudomonas putida)
BDBM50149348
PNG
(1-(2-Ethyl-butyl)-1H-imidazole | CHEMBL330775)
Show SMILES CCC(CC)Cn1ccnc1
Show InChI InChI=1S/C9H16N2/c1-3-9(4-2)7-11-6-5-10-8-11/h5-6,8-9H,3-4,7H2,1-2H3
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 800n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of wild type cytochrome P450cam expressed in Escherichia coli


J Med Chem 47: 3572-9 (2004)


Article DOI: 10.1021/jm030608t
BindingDB Entry DOI: 10.7270/Q20R9NVP
More data for this
Ligand-Target Pair
Cytochrome P450 2A13 (CYP2A13)


(Homo sapiens (Human))
BDBM84671
PNG
(1-Subsituted 1H-imidazole, 7)
Show SMILES CC(C)CCn1ccnc1
Show InChI InChI=1S/C8H14N2/c1-8(2)3-5-10-6-4-9-7-10/h4,6-8H,3,5H2,1-2H3
PDB
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Article
PubMed
n/an/a 5.60E+3n/an/an/an/a7.637



University of Basel



Assay Description
Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.


Chembiochem 10: 1562-7 (2009)


Article DOI: 10.1002/cbic.200800712
BindingDB Entry DOI: 10.7270/Q2R78CR9
More data for this
Ligand-Target Pair
Cytochrome P450 2A13 (CYP2A13)


(Homo sapiens (Human))
BDBM36010
PNG
(1-Subsituted 1H-imidazole, 2 | 1-butylimidazole)
Show SMILES CCCCn1ccnc1
Show InChI InChI=1S/C7H12N2/c1-2-3-5-9-6-4-8-7-9/h4,6-7H,2-3,5H2,1H3
PDB
MMDB

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Article
PubMed
n/an/a 4.40E+4n/an/an/an/a7.637



University of Basel



Assay Description
Inhibition assay using cytochrome P450 enzyme CYP2A6 and CYP2A13.


Chembiochem 10: 1562-7 (2009)


Article DOI: 10.1002/cbic.200800712
BindingDB Entry DOI: 10.7270/Q2R78CR9
More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 36010,84671,50149348
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
BDBM4
JPEG
BDBM36010
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-3.051.81-4.872.241024.9



NIST





J Am Chem Soc 117: 8830-40 (1995)