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Compile Data Set for Download or QSAR

Found 10 hits with Last Name = 'akkani' and Initial = 'a'   
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 (CYP19)


(Homo sapiens (human))
BDBM50061156
PNG
((S)-10,13-Dimethyl-6-prop-2-ynyl-1,6,7,8,9,10,11,1...)
Show SMILES CC12CCC3C(C[C@@H](CC#C)C4=CC(=O)CCC34C)C1CCC2=O
Show InChI InChI=1S/C22H28O2/c1-4-5-14-12-16-17-6-7-20(24)22(17,3)11-9-18(16)21(2)10-8-15(23)13-19(14)21/h1,13-14,16-18H,5-12H2,2-3H3/t14-,16?,17?,18?,21?,22?/m1/s1
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10n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity for human placental microsome Cytochrome P450 19A1 by nonlinear regression analysis


J Med Chem 40: 3263-70 (1997)


Article DOI: 10.1021/jm970325z
BindingDB Entry DOI: 10.7270/Q23J3C33
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50421840
PNG
(MDL-18962 | PLOMESTANE)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34CC#C)[C@@H]1CCC2=O
Show InChI InChI=1S/C21H26O2/c1-3-10-21-12-8-15(22)13-14(21)4-5-16-17-6-7-19(23)20(17,2)11-9-18(16)21/h1,13,16-18H,4-12H2,2H3/t16-,17-,18-,20-,21-/m0/s1
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15n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity for human placental microsome Cytochrome P450 19A1 by nonlinear regression analysis


J Med Chem 40: 3263-70 (1997)


Article DOI: 10.1021/jm970325z
BindingDB Entry DOI: 10.7270/Q23J3C33
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50061153
PNG
((R)-10,13-Dimethyl-6-prop-2-ynyl-1,6,7,8,9,10,11,1...)
Show SMILES CC12CCC3C(C[C@H](CC#C)C4=CC(=O)CCC34C)C1CCC2=O
Show InChI InChI=1S/C22H28O2/c1-4-5-14-12-16-17-6-7-20(24)22(17,3)11-9-18(16)21(2)10-8-15(23)13-19(14)21/h1,13-14,16-18H,5-12H2,2-3H3/t14-,16?,17?,18?,21?,22?/m0/s1
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37n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity for human placental microsome Cytochrome P450 19A1 by nonlinear regression analysis


J Med Chem 40: 3263-70 (1997)


Article DOI: 10.1021/jm970325z
BindingDB Entry DOI: 10.7270/Q23J3C33
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50061154
PNG
((S)-13-Methyl-6-prop-2-ynyl-1,6,7,8,9,10,11,12,13,...)
Show SMILES CC12CCC3C(C[C@@H](CC#C)C4=CC(=O)CCC34)C1CCC2=O
Show InChI InChI=1S/C21H26O2/c1-3-4-13-11-18-16(15-6-5-14(22)12-17(13)15)9-10-21(2)19(18)7-8-20(21)23/h1,12-13,15-16,18-19H,4-11H2,2H3/t13-,15?,16?,18?,19?,21?/m1/s1
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47.6n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity for human placental microsome Cytochrome P450 19A1 by nonlinear regression analysis


J Med Chem 40: 3263-70 (1997)


Article DOI: 10.1021/jm970325z
BindingDB Entry DOI: 10.7270/Q23J3C33
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50061155
PNG
((R)-13-Methyl-6-prop-2-ynyl-1,6,7,8,9,10,11,12,13,...)
Show SMILES CC12CCC3C(C[C@H](CC#C)C4=CC(=O)CCC34)C1CCC2=O
Show InChI InChI=1S/C21H26O2/c1-3-4-13-11-18-16(15-6-5-14(22)12-17(13)15)9-10-21(2)19(18)7-8-20(21)23/h1,12-13,15-16,18-19H,4-11H2,2H3/t13-,15?,16?,18?,19?,21?/m0/s1
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65.8n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity for human placental microsome Cytochrome P450 19A1 by nonlinear regression analysis


J Med Chem 40: 3263-70 (1997)


Article DOI: 10.1021/jm970325z
BindingDB Entry DOI: 10.7270/Q23J3C33
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50061156
PNG
((S)-10,13-Dimethyl-6-prop-2-ynyl-1,6,7,8,9,10,11,1...)
Show SMILES CC12CCC3C(C[C@@H](CC#C)C4=CC(=O)CCC34C)C1CCC2=O
Show InChI InChI=1S/C22H28O2/c1-4-5-14-12-16-17-6-7-20(24)22(17,3)11-9-18(16)21(2)10-8-15(23)13-19(14)21/h1,13-14,16-18H,5-12H2,2-3H3/t14-,16?,17?,18?,21?,22?/m1/s1
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n/an/a 31n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome Cytochrome P450 19A1


J Med Chem 40: 3263-70 (1997)


Article DOI: 10.1021/jm970325z
BindingDB Entry DOI: 10.7270/Q23J3C33
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50421840
PNG
(MDL-18962 | PLOMESTANE)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34CC#C)[C@@H]1CCC2=O
Show InChI InChI=1S/C21H26O2/c1-3-10-21-12-8-15(22)13-14(21)4-5-16-17-6-7-19(23)20(17,2)11-9-18(16)21/h1,13,16-18H,4-12H2,2H3/t16-,17-,18-,20-,21-/m0/s1
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n/an/a 56n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome Cytochrome P450 19A1


J Med Chem 40: 3263-70 (1997)


Article DOI: 10.1021/jm970325z
BindingDB Entry DOI: 10.7270/Q23J3C33
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50061153
PNG
((R)-10,13-Dimethyl-6-prop-2-ynyl-1,6,7,8,9,10,11,1...)
Show SMILES CC12CCC3C(C[C@H](CC#C)C4=CC(=O)CCC34C)C1CCC2=O
Show InChI InChI=1S/C22H28O2/c1-4-5-14-12-16-17-6-7-20(24)22(17,3)11-9-18(16)21(2)10-8-15(23)13-19(14)21/h1,13-14,16-18H,5-12H2,2-3H3/t14-,16?,17?,18?,21?,22?/m0/s1
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n/an/a 176n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome Cytochrome P450 19A1


J Med Chem 40: 3263-70 (1997)


Article DOI: 10.1021/jm970325z
BindingDB Entry DOI: 10.7270/Q23J3C33
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50061155
PNG
((R)-13-Methyl-6-prop-2-ynyl-1,6,7,8,9,10,11,12,13,...)
Show SMILES CC12CCC3C(C[C@H](CC#C)C4=CC(=O)CCC34)C1CCC2=O
Show InChI InChI=1S/C21H26O2/c1-3-4-13-11-18-16(15-6-5-14(22)12-17(13)15)9-10-21(2)19(18)7-8-20(21)23/h1,12-13,15-16,18-19H,4-11H2,2H3/t13-,15?,16?,18?,19?,21?/m0/s1
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n/an/a 188n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome Cytochrome P450 19A1


J Med Chem 40: 3263-70 (1997)


Article DOI: 10.1021/jm970325z
BindingDB Entry DOI: 10.7270/Q23J3C33
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50061154
PNG
((S)-13-Methyl-6-prop-2-ynyl-1,6,7,8,9,10,11,12,13,...)
Show SMILES CC12CCC3C(C[C@@H](CC#C)C4=CC(=O)CCC34)C1CCC2=O
Show InChI InChI=1S/C21H26O2/c1-3-4-13-11-18-16(15-6-5-14(22)12-17(13)15)9-10-21(2)19(18)7-8-20(21)23/h1,12-13,15-16,18-19H,4-11H2,2H3/t13-,15?,16?,18?,19?,21?/m1/s1
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n/an/a 275n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of human placental microsome Cytochrome P450 19A1


J Med Chem 40: 3263-70 (1997)


Article DOI: 10.1021/jm970325z
BindingDB Entry DOI: 10.7270/Q23J3C33
More data for this
Ligand-Target Pair