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Compile Data Set for Download or QSAR

Found 45 hits with Last Name = 'woodworth' and Initial = 'rp'   
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
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50366567
PNG
(ATOMOXETINE)
Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1 |r|
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50313549
PNG
(CHEMBL1085197 | CHEMBL1204411 | {3-[1-(2-Fluoro-ph...)
Show SMILES CNCCCC1Cc2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C18H21FN2O2S/c1-20-12-6-8-15-13-14-7-2-4-10-17(14)21(24(15,22)23)18-11-5-3-9-16(18)19/h2-5,7,9-11,15,20H,6,8,12-13H2,1H3
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n/an/a 3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50313550
PNG
(CHEMBL1085198 | CHEMBL1204412 | {3-[1-(2,6-Difluor...)
Show SMILES CNCCCC1Cc2ccccc2N(c2c(F)cccc2F)S1(=O)=O
Show InChI InChI=1S/C18H20F2N2O2S/c1-21-11-5-7-14-12-13-6-2-3-10-17(13)22(25(14,23)24)18-15(19)8-4-9-16(18)20/h2-4,6,8-10,14,21H,5,7,11-12H2,1H3
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n/an/a 5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50313552
PNG
(CHEMBL1096001 | CHEMBL1204414 | {3-[6-Fluoro-1-(2-...)
Show SMILES CNCCCC1Cc2cc(F)ccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C18H20F2N2O2S/c1-21-10-4-5-15-12-13-11-14(19)8-9-17(13)22(25(15,23)24)18-7-3-2-6-16(18)20/h2-3,6-9,11,15,21H,4-5,10,12H2,1H3
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n/an/a 11n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50313548
PNG
(CHEMBL1077209 | CHEMBL1204410 | [3-(2,2-Dioxo-1-ph...)
Show SMILES CNCCCC1Cc2ccccc2N(c2ccccc2)S1(=O)=O
Show InChI InChI=1S/C18H22N2O2S/c1-19-13-7-11-17-14-15-8-5-6-12-18(15)20(23(17,21)22)16-9-3-2-4-10-16/h2-6,8-10,12,17,19H,7,11,13-14H2,1H3
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n/an/a 12n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50313553
PNG
(CHEMBL1099373 | CHEMBL1204415 | {3-[1-(2,6-Difluor...)
Show SMILES CNCCCC1Cc2cc(F)ccc2N(c2c(F)cccc2F)S1(=O)=O
Show InChI InChI=1S/C18H19F3N2O2S/c1-22-9-3-4-14-11-12-10-13(19)7-8-17(12)23(26(14,24)25)18-15(20)5-2-6-16(18)21/h2,5-8,10,14,22H,3-4,9,11H2,1H3
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n/an/a 25n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50313551
PNG
(CHEMBL1095367 | CHEMBL1204413 | [3-(6-Fluoro-2,2-d...)
Show SMILES CNCCCC1Cc2cc(F)ccc2N(c2ccccc2)S1(=O)=O
Show InChI InChI=1S/C18H21FN2O2S/c1-20-11-5-8-17-13-14-12-15(19)9-10-18(14)21(24(17,22)23)16-6-3-2-4-7-16/h2-4,6-7,9-10,12,17,20H,5,8,11,13H2,1H3
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n/an/a 26n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50313553
PNG
(CHEMBL1099373 | CHEMBL1204415 | {3-[1-(2,6-Difluor...)
Show SMILES CNCCCC1Cc2cc(F)ccc2N(c2c(F)cccc2F)S1(=O)=O
Show InChI InChI=1S/C18H19F3N2O2S/c1-22-9-3-4-14-11-12-10-13(19)7-8-17(12)23(26(14,24)25)18-15(20)5-2-6-16(18)21/h2,5-8,10,14,22H,3-4,9,11H2,1H3
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n/an/a 27n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50313543
PNG
(CHEMBL1087924 | {3-[1-(2-Fluoro-phenyl)-2,2-dioxo-...)
Show SMILES CNCCCN1Cc2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C17H20FN3O2S/c1-19-11-6-12-20-13-14-7-2-4-9-16(14)21(24(20,22)23)17-10-5-3-8-15(17)18/h2-5,7-10,19H,6,11-13H2,1H3
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n/an/a 29n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50313547
PNG
(CHEMBL1083211 | {4-[6-Fluoro-1-(2-fluoro-phenyl)-2...)
Show SMILES CNCCCCN1Cc2cc(F)ccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C18H21F2N3O2S/c1-21-10-4-5-11-22-13-14-12-15(19)8-9-17(14)23(26(22,24)25)18-7-3-2-6-16(18)20/h2-3,6-9,12,21H,4-5,10-11,13H2,1H3
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n/an/a 30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50313544
PNG
(CHEMBL1084933 | {4-[1-(2-Fluoro-phenyl)-2,2-dioxo-...)
Show SMILES CNCCCCN1Cc2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C18H22FN3O2S/c1-20-12-6-7-13-21-14-15-8-2-4-10-17(15)22(25(21,23)24)18-11-5-3-9-16(18)19/h2-5,8-11,20H,6-7,12-14H2,1H3
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n/an/a 38n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50313550
PNG
(CHEMBL1085198 | CHEMBL1204412 | {3-[1-(2,6-Difluor...)
Show SMILES CNCCCC1Cc2ccccc2N(c2c(F)cccc2F)S1(=O)=O
Show InChI InChI=1S/C18H20F2N2O2S/c1-21-11-5-7-14-12-13-6-2-3-10-17(13)22(25(14,23)24)18-15(19)8-4-9-16(18)20/h2-4,6,8-10,14,21H,5,7,11-12H2,1H3
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n/an/a 52n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50313549
PNG
(CHEMBL1085197 | CHEMBL1204411 | {3-[1-(2-Fluoro-ph...)
Show SMILES CNCCCC1Cc2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C18H21FN2O2S/c1-20-12-6-8-15-13-14-7-2-4-10-17(14)21(24(15,22)23)18-11-5-3-9-16(18)19/h2-5,7,9-11,15,20H,6,8,12-13H2,1H3
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n/an/a 55n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50313548
PNG
(CHEMBL1077209 | CHEMBL1204410 | [3-(2,2-Dioxo-1-ph...)
Show SMILES CNCCCC1Cc2ccccc2N(c2ccccc2)S1(=O)=O
Show InChI InChI=1S/C18H22N2O2S/c1-19-13-7-11-17-14-15-8-5-6-12-18(15)20(23(17,21)22)16-9-3-2-4-10-16/h2-6,8-10,12,17,19H,7,11,13-14H2,1H3
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n/an/a 88n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50313552
PNG
(CHEMBL1096001 | CHEMBL1204414 | {3-[6-Fluoro-1-(2-...)
Show SMILES CNCCCC1Cc2cc(F)ccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C18H20F2N2O2S/c1-21-10-4-5-15-12-13-11-14(19)8-9-17(13)22(25(15,23)24)18-7-3-2-6-16(18)20/h2-3,6-9,11,15,21H,4-5,10,12H2,1H3
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n/an/a 93n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50313547
PNG
(CHEMBL1083211 | {4-[6-Fluoro-1-(2-fluoro-phenyl)-2...)
Show SMILES CNCCCCN1Cc2cc(F)ccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C18H21F2N3O2S/c1-21-10-4-5-11-22-13-14-12-15(19)8-9-17(14)23(26(22,24)25)18-7-3-2-6-16(18)20/h2-3,6-9,12,21H,4-5,10-11,13H2,1H3
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n/an/a 110n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50313546
PNG
(CHEMBL1083210 | {3-[6-Fluoro-1-(2-fluoro-phenyl)-2...)
Show SMILES CNCCCN1Cc2cc(F)ccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C17H19F2N3O2S/c1-20-9-4-10-21-12-13-11-14(18)7-8-16(13)22(25(21,23)24)17-6-3-2-5-15(17)19/h2-3,5-8,11,20H,4,9-10,12H2,1H3
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n/an/a 120n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50313532
PNG
(CHEMBL1086398 | [3-(2,2-Dioxo-1-phenyl-1,4-dihydro...)
Show SMILES CNCCCN1Cc2ccccc2N(c2ccccc2)S1(=O)=O
Show InChI InChI=1S/C17H21N3O2S/c1-18-12-7-13-19-14-15-8-5-6-11-17(15)20(23(19,21)22)16-9-3-2-4-10-16/h2-6,8-11,18H,7,12-14H2,1H3
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n/an/a 130n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50313537
PNG
(CHEMBL1085906 | [3-(2,2-Dioxo-1-p-tolyl-1,4-dihydr...)
Show SMILES CNCCCN1Cc2ccccc2N(c2ccc(C)cc2)S1(=O)=O
Show InChI InChI=1S/C18H23N3O2S/c1-15-8-10-17(11-9-15)21-18-7-4-3-6-16(18)14-20(24(21,22)23)13-5-12-19-2/h3-4,6-11,19H,5,12-14H2,1-2H3
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n/an/a 140n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50313551
PNG
(CHEMBL1095367 | CHEMBL1204413 | [3-(6-Fluoro-2,2-d...)
Show SMILES CNCCCC1Cc2cc(F)ccc2N(c2ccccc2)S1(=O)=O
Show InChI InChI=1S/C18H21FN2O2S/c1-20-11-5-8-17-13-14-12-15(19)9-10-18(14)21(24(17,22)23)16-6-3-2-4-7-16/h2-4,6-7,9-10,12,17,20H,5,8,11,13H2,1H3
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n/an/a 170n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50313542
PNG
(CHEMBL1087923 | {2-[1-(2-Fluoro-phenyl)-2,2-dioxo-...)
Show SMILES CNCCN1Cc2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C16H18FN3O2S/c1-18-10-11-19-12-13-6-2-4-8-15(13)20(23(19,21)22)16-9-5-3-7-14(16)17/h2-9,18H,10-12H2,1H3
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n/an/a 200n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50313551
PNG
(CHEMBL1095367 | CHEMBL1204413 | [3-(6-Fluoro-2,2-d...)
Show SMILES CNCCCC1Cc2cc(F)ccc2N(c2ccccc2)S1(=O)=O
Show InChI InChI=1S/C18H21FN2O2S/c1-20-11-5-8-17-13-14-12-15(19)9-10-18(14)21(24(17,22)23)16-6-3-2-4-7-16/h2-4,6-7,9-10,12,17,20H,5,8,11,13H2,1H3
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n/an/a 240n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50313552
PNG
(CHEMBL1096001 | CHEMBL1204414 | {3-[6-Fluoro-1-(2-...)
Show SMILES CNCCCC1Cc2cc(F)ccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C18H20F2N2O2S/c1-21-10-4-5-15-12-13-11-14(19)8-9-17(13)22(25(15,23)24)18-7-3-2-6-16(18)20/h2-3,6-9,11,15,21H,4-5,10,12H2,1H3
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n/an/a 340n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50313536
PNG
(CHEMBL1085905 | {3-[1-(4-Fluoro-phenyl)-2,2-dioxo-...)
Show SMILES CNCCCN1Cc2ccccc2N(c2ccc(F)cc2)S1(=O)=O
Show InChI InChI=1S/C17H20FN3O2S/c1-19-11-4-12-20-13-14-5-2-3-6-17(14)21(24(20,22)23)16-9-7-15(18)8-10-16/h2-3,5-10,19H,4,11-13H2,1H3
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n/an/a 490n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50313553
PNG
(CHEMBL1099373 | CHEMBL1204415 | {3-[1-(2,6-Difluor...)
Show SMILES CNCCCC1Cc2cc(F)ccc2N(c2c(F)cccc2F)S1(=O)=O
Show InChI InChI=1S/C18H19F3N2O2S/c1-22-9-3-4-14-11-12-10-13(19)7-8-17(12)23(26(14,24)25)18-15(20)5-2-6-16(18)21/h2,5-8,10,14,22H,3-4,9,11H2,1H3
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n/an/a 600n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50313533
PNG
(CHEMBL1086399 | {3-[1-(3-Fluoro-phenyl)-2,2-dioxo-...)
Show SMILES CNCCCN1Cc2ccccc2N(c2cccc(F)c2)S1(=O)=O
Show InChI InChI=1S/C17H20FN3O2S/c1-19-10-5-11-20-13-14-6-2-3-9-17(14)21(24(20,22)23)16-8-4-7-15(18)12-16/h2-4,6-9,12,19H,5,10-11,13H2,1H3
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n/an/a 630n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50313552
PNG
(CHEMBL1096001 | CHEMBL1204414 | {3-[6-Fluoro-1-(2-...)
Show SMILES CNCCCC1Cc2cc(F)ccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C18H20F2N2O2S/c1-21-10-4-5-15-12-13-11-14(19)8-9-17(13)22(25(15,23)24)18-7-3-2-6-16(18)20/h2-3,6-9,11,15,21H,4-5,10,12H2,1H3
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n/an/a 720n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50313535
PNG
(CHEMBL1085904 | {3-[1-(3-Methoxy-phenyl)-2,2-dioxo...)
Show SMILES CNCCCN1Cc2ccccc2N(c2cccc(OC)c2)S1(=O)=O
Show InChI InChI=1S/C18H23N3O3S/c1-19-11-6-12-20-14-15-7-3-4-10-18(15)21(25(20,22)23)16-8-5-9-17(13-16)24-2/h3-5,7-10,13,19H,6,11-12,14H2,1-2H3
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n/an/a 790n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50313539
PNG
(CHEMBL1077202 | {3-[1-(4-Chloro-phenyl)-2,2-dioxo-...)
Show SMILES CNCCCN1Cc2ccccc2N(c2ccc(Cl)cc2)S1(=O)=O
Show InChI InChI=1S/C17H20ClN3O2S/c1-19-11-4-12-20-13-14-5-2-3-6-17(14)21(24(20,22)23)16-9-7-15(18)8-10-16/h2-3,5-10,19H,4,11-13H2,1H3
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n/an/a 910n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50313540
PNG
(CHEMBL1087921 | {3-[1-(3,4-Difluoro-phenyl)-2,2-di...)
Show SMILES CNCCCN1Cc2ccccc2N(c2ccc(F)c(F)c2)S1(=O)=O
Show InChI InChI=1S/C17H19F2N3O2S/c1-20-9-4-10-21-12-13-5-2-3-6-17(13)22(25(21,23)24)14-7-8-15(18)16(19)11-14/h2-3,5-8,11,20H,4,9-10,12H2,1H3
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n/an/a 970n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50313534
PNG
(CHEMBL1082534 | [3-(2,2-Dioxo-1-m-tolyl-1,4-dihydr...)
Show SMILES CNCCCN1Cc2ccccc2N(c2cccc(C)c2)S1(=O)=O
Show InChI InChI=1S/C18H23N3O2S/c1-15-7-5-9-17(13-15)21-18-10-4-3-8-16(18)14-20(24(21,22)23)12-6-11-19-2/h3-5,7-10,13,19H,6,11-12,14H2,1-2H3
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n/an/a 1.03E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50313545
PNG
(CHEMBL1084934 | {2-[6-Fluoro-1-(2-fluoro-phenyl)-2...)
Show SMILES CNCCN1Cc2cc(F)ccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C16H17F2N3O2S/c1-19-8-9-20-11-12-10-13(17)6-7-15(12)21(24(20,22)23)16-5-3-2-4-14(16)18/h2-7,10,19H,8-9,11H2,1H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50313546
PNG
(CHEMBL1083210 | {3-[6-Fluoro-1-(2-fluoro-phenyl)-2...)
Show SMILES CNCCCN1Cc2cc(F)ccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C17H19F2N3O2S/c1-20-9-4-10-21-12-13-11-14(18)7-8-16(13)22(25(21,23)24)17-6-3-2-5-15(17)19/h2-3,5-8,11,20H,4,9-10,12H2,1H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50313541
PNG
(CHEMBL1087922 | {3-[1-(3-Chloro-4-fluoro-phenyl)-2...)
Show SMILES CNCCCN1Cc2ccccc2N(c2ccc(F)c(Cl)c2)S1(=O)=O
Show InChI InChI=1S/C17H19ClFN3O2S/c1-20-9-4-10-21-12-13-5-2-3-6-17(13)22(25(21,23)24)14-7-8-16(19)15(18)11-14/h2-3,5-8,11,20H,4,9-10,12H2,1H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50313544
PNG
(CHEMBL1084933 | {4-[1-(2-Fluoro-phenyl)-2,2-dioxo-...)
Show SMILES CNCCCCN1Cc2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C18H22FN3O2S/c1-20-12-6-7-13-21-14-15-8-2-4-10-17(15)22(25(21,23)24)18-11-5-3-9-16(18)19/h2-5,8-11,20H,6-7,12-14H2,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50313548
PNG
(CHEMBL1077209 | CHEMBL1204410 | [3-(2,2-Dioxo-1-ph...)
Show SMILES CNCCCC1Cc2ccccc2N(c2ccccc2)S1(=O)=O
Show InChI InChI=1S/C18H22N2O2S/c1-19-13-7-11-17-14-15-8-5-6-12-18(15)20(23(17,21)22)16-9-3-2-4-10-16/h2-6,8-10,12,17,19H,7,11,13-14H2,1H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50313538
PNG
(CHEMBL1085907 | {3-[1-(4-Methoxy-phenyl)-2,2-dioxo...)
Show SMILES CNCCCN1Cc2ccccc2N(c2ccc(OC)cc2)S1(=O)=O
Show InChI InChI=1S/C18H23N3O3S/c1-19-12-5-13-20-14-15-6-3-4-7-18(15)21(25(20,22)23)16-8-10-17(24-2)11-9-16/h3-4,6-11,19H,5,12-14H2,1-2H3
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n/an/a 3.55E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50313551
PNG
(CHEMBL1095367 | CHEMBL1204413 | [3-(6-Fluoro-2,2-d...)
Show SMILES CNCCCC1Cc2cc(F)ccc2N(c2ccccc2)S1(=O)=O
Show InChI InChI=1S/C18H21FN2O2S/c1-20-11-5-8-17-13-14-12-15(19)9-10-18(14)21(24(17,22)23)16-6-3-2-4-7-16/h2-4,6-7,9-10,12,17,20H,5,8,11,13H2,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from human recombinant DAT expressed in CHO cells


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50313543
PNG
(CHEMBL1087924 | {3-[1-(2-Fluoro-phenyl)-2,2-dioxo-...)
Show SMILES CNCCCN1Cc2ccccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C17H20FN3O2S/c1-19-11-6-12-20-13-14-7-2-4-9-16(14)21(24(20,22)23)17-10-5-3-8-15(17)18/h2-5,7-10,19H,6,11-13H2,1H3
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n/an/a 5.50E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50313532
PNG
(CHEMBL1086398 | [3-(2,2-Dioxo-1-phenyl-1,4-dihydro...)
Show SMILES CNCCCN1Cc2ccccc2N(c2ccccc2)S1(=O)=O
Show InChI InChI=1S/C17H21N3O2S/c1-18-12-7-13-19-14-15-8-5-6-11-17(15)20(23(19,21)22)16-9-3-2-4-10-16/h2-6,8-11,18H,7,12-14H2,1H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50313548
PNG
(CHEMBL1077209 | CHEMBL1204410 | [3-(2,2-Dioxo-1-ph...)
Show SMILES CNCCCC1Cc2ccccc2N(c2ccccc2)S1(=O)=O
Show InChI InChI=1S/C18H22N2O2S/c1-19-13-7-11-17-14-15-8-5-6-12-18(15)20(23(17,21)22)16-9-3-2-4-10-16/h2-6,8-10,12,17,19H,7,11,13-14H2,1H3
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PubMed
n/an/a 6.60E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from human recombinant DAT expressed in CHO cells


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50313548
PNG
(CHEMBL1077209 | CHEMBL1204410 | [3-(2,2-Dioxo-1-ph...)
Show SMILES CNCCCC1Cc2ccccc2N(c2ccccc2)S1(=O)=O
Show InChI InChI=1S/C18H22N2O2S/c1-19-13-7-11-17-14-15-8-5-6-12-18(15)20(23(17,21)22)16-9-3-2-4-10-16/h2-6,8-10,12,17,19H,7,11,13-14H2,1H3
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PubMed
n/an/a 6.90E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50313550
PNG
(CHEMBL1085198 | CHEMBL1204412 | {3-[1-(2,6-Difluor...)
Show SMILES CNCCCC1Cc2ccccc2N(c2c(F)cccc2F)S1(=O)=O
Show InChI InChI=1S/C18H20F2N2O2S/c1-21-11-5-7-14-12-13-6-2-3-10-17(13)22(25(14,23)24)18-15(19)8-4-9-16(18)20/h2-4,6,8-10,14,21H,5,7,11-12H2,1H3
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PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50313545
PNG
(CHEMBL1084934 | {2-[6-Fluoro-1-(2-fluoro-phenyl)-2...)
Show SMILES CNCCN1Cc2cc(F)ccc2N(c2ccccc2F)S1(=O)=O
Show InChI InChI=1S/C16H17F2N3O2S/c1-19-8-9-20-11-12-10-13(17)6-7-15(12)21(24(20,22)23)16-5-3-2-4-14(16)18/h2-7,10,19H,8-9,11H2,1H3
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n/an/a 1.33E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50086685
PNG
(5-Hydroxy-1H-indole-2-carboxylic acid 3-hydroxy-be...)
Show SMILES Oc1cccc(CNC(=O)c2cc3cc(O)ccc3[nH]2)c1
Show InChI InChI=1S/C16H14N2O3/c19-12-3-1-2-10(6-12)9-17-16(21)15-8-11-7-13(20)4-5-14(11)18-15/h1-8,18-20H,9H2,(H,17,21)
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n/an/a 3.80E+4n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p60 c-Src tyrosine kinase


Bioorg Med Chem Lett 10: 483-6 (2000)


BindingDB Entry DOI: 10.7270/Q2J102D4
More data for this
Ligand-Target Pair