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Compile Data Set for Download or QSAR

Found 6 hits with Last Name = 'al-ansary' and Initial = 'gh'   
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
Cytochrome P450 19A1


(Homo sapiens (human))
BDBM50210928
PNG
(CHEMBL3926174)
Show SMILES COc1ncnc(NS(=O)(=O)c2ccc(N\C=C/C(=O)c3cc4ccccc4oc3=O)cc2)c1OC
Show InChI InChI=1S/C24H20N4O7S/c1-33-21-22(26-14-27-23(21)34-2)28-36(31,32)17-9-7-16(8-10-17)25-12-11-19(29)18-13-15-5-3-4-6-20(15)35-24(18)30/h3-14,25H,1-2H3,(H,26,27,28)/b12-11-
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n/an/a 4.66E+3n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of aromatase activity in human T47D cells after 24 hrs


Eur J Med Chem 124: 946-958 (2016)


Article DOI: 10.1016/j.ejmech.2016.10.020
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (human))
BDBM50210931
PNG
(CHEMBL3959541)
Show SMILES O=C(\C=C/Nc1ccc(cc1)S(=O)(=O)Nc1ccnn1-c1ccccc1)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C27H20N4O5S/c32-24(23-18-19-6-4-5-9-25(19)36-27(23)33)14-16-28-20-10-12-22(13-11-20)37(34,35)30-26-15-17-29-31(26)21-7-2-1-3-8-21/h1-18,28,30H/b16-14-
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n/an/a 5.09E+3n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of aromatase activity in human T47D cells after 24 hrs


Eur J Med Chem 124: 946-958 (2016)


Article DOI: 10.1016/j.ejmech.2016.10.020
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (human))
BDBM50210930
PNG
(CHEMBL3924170)
Show SMILES COc1cnc(NS(=O)(=O)c2ccc(N\C=C/C(=O)c3cc4ccccc4oc3=O)cc2)nc1
Show InChI InChI=1S/C23H18N4O6S/c1-32-17-13-25-23(26-14-17)27-34(30,31)18-8-6-16(7-9-18)24-11-10-20(28)19-12-15-4-2-3-5-21(15)33-22(19)29/h2-14,24H,1H3,(H,25,26,27)/b11-10-
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n/an/a 6.07E+3n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of aromatase activity in human T47D cells after 24 hrs


Eur J Med Chem 124: 946-958 (2016)


Article DOI: 10.1016/j.ejmech.2016.10.020
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (human))
BDBM50210929
PNG
(CHEMBL3914106)
Show SMILES Cc1ccnc(NS(=O)(=O)c2ccc(N\C=C/C(=O)c3cc4ccccc4oc3=O)cc2)n1
Show InChI InChI=1S/C23H18N4O5S/c1-15-10-12-25-23(26-15)27-33(30,31)18-8-6-17(7-9-18)24-13-11-20(28)19-14-16-4-2-3-5-21(16)32-22(19)29/h2-14,24H,1H3,(H,25,26,27)/b13-11-
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n/an/a 9.52E+3n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of aromatase activity in human T47D cells after 24 hrs


Eur J Med Chem 124: 946-958 (2016)


Article DOI: 10.1016/j.ejmech.2016.10.020
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (human))
BDBM50210932
PNG
(CHEMBL3941042)
Show SMILES O=C(\C=C/Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C23H17N3O5S/c27-20(19-15-16-5-1-2-6-21(16)31-23(19)28)12-14-24-17-8-10-18(11-9-17)32(29,30)26-22-7-3-4-13-25-22/h1-15,24H,(H,25,26)/b14-12-
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n/an/a 1.25E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of aromatase activity in human T47D cells after 24 hrs


Eur J Med Chem 124: 946-958 (2016)


Article DOI: 10.1016/j.ejmech.2016.10.020
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (human))
BDBM13061
PNG
(4,4 -(1H-1,2,4-triazol-1-ylmethanediyl)dibenzonitr...)
Show SMILES N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1cncn1
Show InChI InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H
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Article
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n/an/a 2.95E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of aromatase activity in human T47D cells after 24 hrs


Eur J Med Chem 124: 946-958 (2016)


Article DOI: 10.1016/j.ejmech.2016.10.020
More data for this
Ligand-Target Pair