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10 similar compounds to monomer 50417660

Compile data set for download or QSAR
Wt: 403.4
BDBM50417656		Wt: 349.4
BDBM50417620		Wt: 363.4
BDBM50417621		Wt: 349.4
BDBM50417627		Wt: 363.4
BDBM50417628
Wt: 363.4
BDBM50417632		Wt: 421.4
BDBM50417634		Wt: 417.4
BDBM50417636		Wt: 363.4
BDBM50417637		Wt: 435.4
BDBM50417642

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50417656,50417620,50417621,50417627,50417628,50417632,50417634,50417636,50417637,50417642   
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
GABA transporter 1


(Homo sapiens (Human))		BDBM50417627
PNG
(CHEMBL1642378)
Show SMILES Cc1ccccc1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C23H27NO2/c1-18-9-5-6-13-21(18)22(19-10-3-2-4-11-19)14-8-16-24-15-7-12-20(17-24)23(25)26/h2-6,9-11,13-14,20H,7-8,12,15-17H2,1H3,(H,25,26)/b22-14-/t20-/m1/s1
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 20.4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay

Bioorg Med Chem Lett 21: 602-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.025
BindingDB Entry DOI: 10.7270/Q2T153W6
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens (Human))		BDBM50417628
PNG
(CHEMBL1642379)
Show SMILES CCc1ccccc1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C24H29NO2/c1-2-19-10-6-7-14-22(19)23(20-11-4-3-5-12-20)15-9-17-25-16-8-13-21(18-25)24(26)27/h3-7,10-12,14-15,21H,2,8-9,13,16-18H2,1H3,(H,26,27)/b23-15-/t21-/m1/s1
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 29.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay

Bioorg Med Chem Lett 21: 602-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.025
BindingDB Entry DOI: 10.7270/Q2T153W6
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens (Human))		BDBM50417642
PNG
(CHEMBL1642401)
Show SMILES Cc1cc(F)ccc1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C24H25F4NO2/c1-16-14-18(25)10-11-19(16)20(21-7-2-3-9-22(21)24(26,27)28)8-5-13-29-12-4-6-17(15-29)23(30)31/h2-3,7-11,14,17H,4-6,12-13,15H2,1H3,(H,30,31)/b20-8+/t17-/m1/s1
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 38.9n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay

Bioorg Med Chem Lett 21: 602-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.025
BindingDB Entry DOI: 10.7270/Q2T153W6
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens (Human))		BDBM50417637
PNG
(CHEMBL1642394)
Show SMILES Cc1ccccc1C(=CCCN1CCC[C@H](C1)C(O)=O)c1ccccc1C
Show InChI InChI=1S/C24H29NO2/c1-18-9-3-5-12-21(18)23(22-13-6-4-10-19(22)2)14-8-16-25-15-7-11-20(17-25)24(26)27/h3-6,9-10,12-14,20H,7-8,11,15-17H2,1-2H3,(H,26,27)/t20-/m1/s1
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 41.7n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay

Bioorg Med Chem Lett 21: 602-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.025
BindingDB Entry DOI: 10.7270/Q2T153W6
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens (Human))		BDBM50417632
PNG
(CHEMBL1642385)
Show SMILES Cc1cccc(C)c1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C24H29NO2/c1-18-9-6-10-19(2)23(18)22(20-11-4-3-5-12-20)14-8-16-25-15-7-13-21(17-25)24(26)27/h3-6,9-12,14,21H,7-8,13,15-17H2,1-2H3,(H,26,27)/b22-14-/t21-/m1/s1
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 77.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay

Bioorg Med Chem Lett 21: 602-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.025
BindingDB Entry DOI: 10.7270/Q2T153W6
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens (Human))		BDBM50417620
PNG
(CHEMBL1642367)
Show SMILES Cc1ccccc1\C(=C\CCN1CCC[C@H](C1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C23H27NO2/c1-18-9-5-6-13-21(18)22(19-10-3-2-4-11-19)14-8-16-24-15-7-12-20(17-24)23(25)26/h2-6,9-11,13-14,20H,7-8,12,15-17H2,1H3,(H,25,26)/b22-14+/t20-/m1/s1
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 93.3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay

Bioorg Med Chem Lett 21: 602-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.025
BindingDB Entry DOI: 10.7270/Q2T153W6
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens (Human))		BDBM50417621
PNG
(CHEMBL1642368)
Show SMILES CCc1ccccc1\C(=C\CCN1CCC[C@H](C1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C24H29NO2/c1-2-19-10-6-7-14-22(19)23(20-11-4-3-5-12-20)15-9-17-25-16-8-13-21(18-25)24(26)27/h3-7,10-12,14-15,21H,2,8-9,13,16-18H2,1H3,(H,26,27)/b23-15+/t21-/m1/s1
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 102n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay

Bioorg Med Chem Lett 21: 602-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.025
BindingDB Entry DOI: 10.7270/Q2T153W6
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens (Human))		BDBM50417634
PNG
(CHEMBL1642390)
Show SMILES OC(=O)[C@@H]1CCCN(CC\C=C(/c2ccccc2F)c2ccccc2C(F)(F)F)C1
Show InChI InChI=1S/C23H23F4NO2/c24-21-12-4-2-9-19(21)17(18-8-1-3-11-20(18)23(25,26)27)10-6-14-28-13-5-7-16(15-28)22(29)30/h1-4,8-12,16H,5-7,13-15H2,(H,29,30)/b17-10-/t16-/m1/s1
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 355n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay

Bioorg Med Chem Lett 21: 602-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.025
BindingDB Entry DOI: 10.7270/Q2T153W6
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens (Human))		BDBM50417636
PNG
(CHEMBL1642392)
Show SMILES Cc1ccccc1\C(=C/CCN1CCC[C@H](C1)C(O)=O)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C24H26F3NO2/c1-17-8-2-3-10-19(17)20(21-11-4-5-13-22(21)24(25,26)27)12-7-15-28-14-6-9-18(16-28)23(29)30/h2-5,8,10-13,18H,6-7,9,14-16H2,1H3,(H,29,30)/b20-12+/t18-/m1/s1
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 380n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay

Bioorg Med Chem Lett 21: 602-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.025
BindingDB Entry DOI: 10.7270/Q2T153W6
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens (Human))		BDBM50417656
PNG
(CHEMBL1642366)
Show SMILES OC(=O)[C@@H]1CCCN(CC\C=C(/c2ccccc2)c2ccccc2C(F)(F)F)C1
Show InChI InChI=1S/C23H24F3NO2/c24-23(25,26)21-13-5-4-11-20(21)19(17-8-2-1-3-9-17)12-7-15-27-14-6-10-18(16-27)22(28)29/h1-5,8-9,11-13,18H,6-7,10,14-16H2,(H,28,29)/b19-12+/t18-/m1/s1
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 1.91E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay

Bioorg Med Chem Lett 21: 602-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.025
BindingDB Entry DOI: 10.7270/Q2T153W6
More data for this
Ligand-Target Pair