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Compile Data Set for Download or QSAR

Found 9 hits with Last Name = 'delevoye-seiller' and Initial = 'b'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aromatase


(Homo sapiens (Human))
BDBM50075009
PNG
(1-Ethyl-5-[(4-fluoro-phenyl)-imidazol-1-yl-methyl]...)
Show SMILES CCn1ccc2cc(ccc12)C(c1ccc(F)cc1)n1ccnc1
Show InChI InChI=1S/C20H18FN3/c1-2-23-11-9-16-13-17(5-8-19(16)23)20(24-12-10-22-14-24)15-3-6-18(21)7-4-15/h3-14,20H,2H2,1H3
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n/an/a 41n/an/an/an/an/an/a



Nantes

Curated by ChEMBL


Assay Description
In vitro inhibition of human Cytochrome P450 19A1


Bioorg Med Chem Lett 9: 333-6 (1999)


BindingDB Entry DOI: 10.7270/Q20C4TXZ
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50075001
PNG
(4-(3-Imidazol-1-ylmethyl-indol-1-ylmethyl)-benzoni...)
Show SMILES N#Cc1ccc(Cn2cc(Cn3ccnc3)c3ccccc23)cc1
Show InChI InChI=1S/C20H16N4/c21-11-16-5-7-17(8-6-16)12-24-14-18(13-23-10-9-22-15-23)19-3-1-2-4-20(19)24/h1-10,14-15H,12-13H2
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n/an/a 50n/an/an/an/an/an/a



Nantes

Curated by ChEMBL


Assay Description
In vitro inhibition of human Cytochrome P450 19A1


Bioorg Med Chem Lett 9: 333-6 (1999)


BindingDB Entry DOI: 10.7270/Q20C4TXZ
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50075003
PNG
(5-Bromo-1-ethyl-3-[(4-fluoro-phenyl)-imidazol-1-yl...)
Show SMILES CCn1cc(C(c2ccc(F)cc2)n2ccnc2)c2cc(Br)ccc12
Show InChI InChI=1S/C20H17BrFN3/c1-2-24-12-18(17-11-15(21)5-8-19(17)24)20(25-10-9-23-13-25)14-3-6-16(22)7-4-14/h3-13,20H,2H2,1H3
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n/an/a 52n/an/an/an/an/an/a



Nantes

Curated by ChEMBL


Assay Description
In vitro inhibition of human Cytochrome P450 19A1


Bioorg Med Chem Lett 9: 333-6 (1999)


BindingDB Entry DOI: 10.7270/Q20C4TXZ
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50075008
PNG
(1-(2-Chloro-benzyl)-3-imidazol-1-ylmethyl-1H-indol...)
Show SMILES Clc1ccccc1Cn1cc(Cn2ccnc2)c2ccccc12
Show InChI InChI=1S/C19H16ClN3/c20-18-7-3-1-5-15(18)12-23-13-16(11-22-10-9-21-14-22)17-6-2-4-8-19(17)23/h1-10,13-14H,11-12H2
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n/an/a 54n/an/an/an/an/an/a



Nantes

Curated by ChEMBL


Assay Description
In vitro inhibition of human Cytochrome P450 19A1


Bioorg Med Chem Lett 9: 333-6 (1999)


BindingDB Entry DOI: 10.7270/Q20C4TXZ
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50075004
PNG
(1-Ethyl-3-[(4-fluoro-phenyl)-imidazol-1-yl-methyl]...)
Show SMILES CCn1cc(C(c2ccc(F)cc2)n2ccnc2)c2ccccc12
Show InChI InChI=1S/C20H18FN3/c1-2-23-13-18(17-5-3-4-6-19(17)23)20(24-12-11-22-14-24)15-7-9-16(21)10-8-15/h3-14,20H,2H2,1H3
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n/an/a 57n/an/an/an/an/an/a



Nantes

Curated by ChEMBL


Assay Description
In vitro inhibition of human Cytochrome P450 19A1


Bioorg Med Chem Lett 9: 333-6 (1999)


BindingDB Entry DOI: 10.7270/Q20C4TXZ
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50075002
PNG
(5-Bromo-3-[(4-fluoro-phenyl)-imidazol-1-yl-methyl]...)
Show SMILES Cn1cc(C(c2ccc(F)cc2)n2ccnc2)c2cc(Br)ccc12
Show InChI InChI=1S/C19H15BrFN3/c1-23-11-17(16-10-14(20)4-7-18(16)23)19(24-9-8-22-12-24)13-2-5-15(21)6-3-13/h2-12,19H,1H3
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n/an/a 79n/an/an/an/an/an/a



Nantes

Curated by ChEMBL


Assay Description
In vitro inhibition of human Cytochrome P450 19A1


Bioorg Med Chem Lett 9: 333-6 (1999)


BindingDB Entry DOI: 10.7270/Q20C4TXZ
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50075005
PNG
(1-Ethyl-5-(imidazol-1-yl-phenyl-methyl)-1H-indole ...)
Show SMILES CCn1ccc2cc(ccc12)C(c1ccccc1)n1ccnc1
Show InChI InChI=1S/C20H19N3/c1-2-22-12-10-17-14-18(8-9-19(17)22)20(23-13-11-21-15-23)16-6-4-3-5-7-16/h3-15,20H,2H2,1H3
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n/an/a 205n/an/an/an/an/an/a



Nantes

Curated by ChEMBL


Assay Description
In vitro inhibition of human Cytochrome P450 19A1


Bioorg Med Chem Lett 9: 333-6 (1999)


BindingDB Entry DOI: 10.7270/Q20C4TXZ
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50075007
PNG
(5-Bromo-1-ethyl-2-[(4-fluoro-phenyl)-imidazol-1-yl...)
Show SMILES CCn1c(C(c2ccc(F)cc2)n2ccnc2)c(C)c2cc(Br)ccc12
Show InChI InChI=1S/C21H19BrFN3/c1-3-26-19-9-6-16(22)12-18(19)14(2)20(26)21(25-11-10-24-13-25)15-4-7-17(23)8-5-15/h4-13,21H,3H2,1-2H3
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n/an/a 238n/an/an/an/an/an/a



Nantes

Curated by ChEMBL


Assay Description
In vitro inhibition of human Cytochrome P450 19A1


Bioorg Med Chem Lett 9: 333-6 (1999)


BindingDB Entry DOI: 10.7270/Q20C4TXZ
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50075006
PNG
(3-(Imidazol-1-yl-phenyl-methyl)-1-(toluene-4-sulfo...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(C(c2ccccc2)n2ccnc2)c2ccccc12
Show InChI InChI=1S/C25H21N3O2S/c1-19-11-13-21(14-12-19)31(29,30)28-17-23(22-9-5-6-10-24(22)28)25(27-16-15-26-18-27)20-7-3-2-4-8-20/h2-18,25H,1H3
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n/an/a 5.40E+3n/an/an/an/an/an/a



Nantes

Curated by ChEMBL


Assay Description
In vitro inhibition of human Cytochrome P450 19A1


Bioorg Med Chem Lett 9: 333-6 (1999)


BindingDB Entry DOI: 10.7270/Q20C4TXZ
More data for this
Ligand-Target Pair