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BDBM50339644 7-[(3,5-Difluorobenzyl)oxy]-4-(1H-imidazol-1-ylmethyl)-2H-chromen-2-one::CHEMBL1688900

SMILES: Fc1cc(F)cc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1

InChI Key: InChIKey=AUMPZNGHFBRUEG-UHFFFAOYSA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50339644   
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
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50339644
PNG
(7-[(3,5-Difluorobenzyl)oxy]-4-(1H-imidazol-1-ylmet...)
Show SMILES Fc1cc(F)cc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Show InChI InChI=1S/C20H14F2N2O3/c21-15-5-13(6-16(22)8-15)11-26-17-1-2-18-14(10-24-4-3-23-12-24)7-20(25)27-19(18)9-17/h1-9,12H,10-11H2
PDB
MMDB

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PubMed
n/an/a 169n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal CYP19 using [1beta-3H]androstenedione substrate pre-incubated for 5 mins by scintillation counting method


Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50339644
PNG
(7-[(3,5-Difluorobenzyl)oxy]-4-(1H-imidazol-1-ylmet...)
Show SMILES Fc1cc(F)cc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Show InChI InChI=1S/C20H14F2N2O3/c21-15-5-13(6-16(22)8-15)11-26-17-1-2-18-14(10-24-4-3-23-12-24)7-20(25)27-19(18)9-17/h1-9,12H,10-11H2
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PubMed
n/an/a 169n/an/an/an/an/an/a



Universita` degli Studi di Bari Aldo Moro

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome CYP19 using [1beta-3H] androstenedione as a substrate


J Med Chem 54: 1613-25 (2011)


Article DOI: 10.1021/jm101120u
BindingDB Entry DOI: 10.7270/Q24X583Q
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50339644
PNG
(7-[(3,5-Difluorobenzyl)oxy]-4-(1H-imidazol-1-ylmet...)
Show SMILES Fc1cc(F)cc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Show InChI InChI=1S/C20H14F2N2O3/c21-15-5-13(6-16(22)8-15)11-26-17-1-2-18-14(10-24-4-3-23-12-24)7-20(25)27-19(18)9-17/h1-9,12H,10-11H2
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n/an/a 200n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh11B2 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...


Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50339644
PNG
(7-[(3,5-Difluorobenzyl)oxy]-4-(1H-imidazol-1-ylmet...)
Show SMILES Fc1cc(F)cc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Show InChI InChI=1S/C20H14F2N2O3/c21-15-5-13(6-16(22)8-15)11-26-17-1-2-18-14(10-24-4-3-23-12-24)7-20(25)27-19(18)9-17/h1-9,12H,10-11H2
PDB

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Article
PubMed
n/an/a 45n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh11B1 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...


Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair