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6 similar compounds to monomer 50014797

Compile data set for download or QSAR
Wt: 262.3
BDBM50014777
Wt: 234.2
BDBM50014788
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Wt: 280.3
BDBM50272069
Wt: 266.3
BDBM50272263
Wt: 310.3
BDBM50335342
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Wt: 346.3
BDBM50436201
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50014777,50014788,50272069,50272263,50335342,50436201   
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 17A1


(Homo sapiens (Human))
BDBM50272263
PNG
(1-[1-(4'-Fluoro-biphenyl-4-yl)-ethyl]-1H-imidazole...)
Show SMILES CC(c1ccc(cc1)-c1ccc(F)cc1)n1ccnc1
Show InChI InChI=1S/C17H15FN2/c1-13(20-11-10-19-12-20)14-2-4-15(5-3-14)16-6-8-17(18)9-7-16/h2-13H,1H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli coexpressed with cytochrome P450 reductase


Bioorg Med Chem 16: 7715-27 (2008)


Article DOI: 10.1016/j.bmc.2008.07.011
BindingDB Entry DOI: 10.7270/Q2222TK7
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50272069
PNG
(1-(2-(4'-Fluorobiphenyl-4-yl)propan-2-yl)-1H-imida...)
Show SMILES CC(C)(c1ccc(cc1)-c1ccc(F)cc1)n1ccnc1
Show InChI InChI=1S/C18H17FN2/c1-18(2,21-12-11-20-13-21)16-7-3-14(4-8-16)15-5-9-17(19)10-6-15/h3-13H,1-2H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli coexpressed with cytochrome P450 reductase


Bioorg Med Chem 16: 7715-27 (2008)


Article DOI: 10.1016/j.bmc.2008.07.011
BindingDB Entry DOI: 10.7270/Q2222TK7
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50335342
PNG
(1-Trityl-1H-imidazole | CHEMBL1651507)
Show SMILES c1cn(cn1)C(c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H18N2/c1-4-10-19(11-5-1)22(24-17-16-23-18-24,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50335342
PNG
(1-Trityl-1H-imidazole | CHEMBL1651507)
Show SMILES c1cn(cn1)C(c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H18N2/c1-4-10-19(11-5-1)22(24-17-16-23-18-24,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZ cells using 11-deoxycorticosterone substrate


ACS Med Chem Lett 2: 2-6 (2011)


Article DOI: 10.1021/ml100071j
BindingDB Entry DOI: 10.7270/Q28W3DKS
More data for this
Ligand-Target Pair
Bile acid receptor


(Homo sapiens (Human))
BDBM50436201
PNG
(FLUTRIMAZOLE | UR-4056)
Show SMILES Fc1ccc(cc1)C(c1ccccc1)(c1ccccc1F)n1ccnc1
Show InChI InChI=1S/C22H16F2N2/c23-19-12-10-18(11-13-19)22(26-15-14-25-16-26,17-6-2-1-3-7-17)20-8-4-5-9-21(20)24/h1-16H
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n/an/a 1.38E+4n/an/an/an/an/an/a



City of Hope National Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human GTS-tagged FXR after 20 mins by TR-FRET assay


Bioorg Med Chem 21: 4266-78 (2013)


Article DOI: 10.1016/j.bmc.2013.04.069
BindingDB Entry DOI: 10.7270/Q2J67J9Z
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50014777
PNG
(1-Di-p-tolylmethyl-1H-imidazole | CHEMBL135381)
Show SMILES Cc1ccc(cc1)C(c1ccc(C)cc1)n1ccnc1
Show InChI InChI=1S/C18H18N2/c1-14-3-7-16(8-4-14)18(20-12-11-19-13-20)17-9-5-15(2)6-10-17/h3-13,18H,1-2H3
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n/an/an/an/a 6.40n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Cytochrome P450 19A1 inhibition concentration to decrease aromatization of androstenedione in rat ovarian microsome


J Med Chem 33: 416-29 (1990)


Article DOI: 10.1021/jm00163a065
BindingDB Entry DOI: 10.7270/Q2WM1F0N
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Rattus norvegicus)
BDBM50014788
PNG
(1-Benzhydryl-1H-imidazole | CHEMBL336638)
Show SMILES c1cn(cn1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H14N2/c1-3-7-14(8-4-1)16(18-12-11-17-13-18)15-9-5-2-6-10-15/h1-13,16H
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n/an/an/an/a 125n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro Cytochrome P450 19A1 inhibition concentration to decrease aromatization of androstenedione in rat ovarian microsome


J Med Chem 33: 416-29 (1990)


Article DOI: 10.1021/jm00163a065
BindingDB Entry DOI: 10.7270/Q2WM1F0N
More data for this
Ligand-Target Pair
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM50436201
PNG
(FLUTRIMAZOLE | UR-4056)
Show SMILES Fc1ccc(cc1)C(c1ccccc1)(c1ccccc1F)n1ccnc1
Show InChI InChI=1S/C22H16F2N2/c23-19-12-10-18(11-13-19)22(26-15-14-25-16-26,17-6-2-1-3-7-17)20-8-4-5-9-21(20)24/h1-16H
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PC cid
PC sid
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PubMed
n/an/an/an/a 6.10E+3n/an/an/an/a



City of Hope National Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at PXR (unknown origin) expressed in human HepG2 cells assessed as induction of CYP3A4 transactivation after 16 hrs by luciferase re...


Bioorg Med Chem 21: 4266-78 (2013)


Article DOI: 10.1016/j.bmc.2013.04.069
BindingDB Entry DOI: 10.7270/Q2J67J9Z
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (Human))
BDBM50014788
PNG
(1-Benzhydryl-1H-imidazole | CHEMBL336638)
Show SMILES c1cn(cn1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H14N2/c1-3-7-14(8-4-1)16(18-12-11-17-13-18)15-9-5-2-6-10-15/h1-13,16H
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n/an/a 20n/an/an/an/an/an/a



Universit£ de Moncton

Curated by ChEMBL


Assay Description
Inhibition of aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate after 30 mins by fluorescence-based colorimetric analysis


Eur J Med Chem 46: 4010-24 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.074
BindingDB Entry DOI: 10.7270/Q2C24WTR
More data for this
Ligand-Target Pair