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Compile Data Set for Download or QSAR

Found 167 hits with Last Name = 'terranova' and Initial = 'km'   
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
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))
BDBM50116774
PNG
(CHEMBL3608796)
Show SMILES Clc1cccc(Nc2n[nH]c3ccc(Cl)cc23)c1
Show InChI InChI=1S/C13H9Cl2N3/c14-8-2-1-3-10(6-8)16-13-11-7-9(15)4-5-12(11)17-18-13/h1-7H,(H2,16,17,18)
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n/an/a 5n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)


Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))
BDBM50116776
PNG
(CHEMBL3608798)
Show SMILES Cc1ccc2[nH]nc(Nc3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C14H12ClN3/c1-9-5-6-13-12(7-9)14(18-17-13)16-11-4-2-3-10(15)8-11/h2-8H,1H3,(H2,16,17,18)
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n/an/a 6n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)


Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))
BDBM50116778
PNG
(CHEMBL3608800)
Show SMILES COc1ccc2[nH]nc(Nc3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C14H12ClN3O/c1-19-11-5-6-13-12(8-11)14(18-17-13)16-10-4-2-3-9(15)7-10/h2-8H,1H3,(H2,16,17,18)
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n/an/a 8n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)


Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))
BDBM3263
PNG
(4-Anilino quinazoline deriv. 14 | CHEMBL329672 | C...)
Show SMILES Clc1cccc(Nc2ncnc3ccccc23)c1
Show InChI InChI=1S/C14H10ClN3/c15-10-4-3-5-11(8-10)18-14-12-6-1-2-7-13(12)16-9-17-14/h1-9H,(H,16,17,18)
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n/an/a 11n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)


Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))
BDBM50116702
PNG
(CHEMBL3608697)
Show SMILES COc1ccc(O)c(c1)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C14H12ClNO3/c1-19-11-5-6-13(17)12(8-11)14(18)16-10-4-2-3-9(15)7-10/h2-8,17H,1H3,(H,16,18)
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n/an/a 15n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)


Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))
BDBM50116709
PNG
(CHEMBL3608700)
Show SMILES Clc1cccc(Nc2cccc3ccccc23)c1
Show InChI InChI=1S/C16H12ClN/c17-13-7-4-8-14(11-13)18-16-10-3-6-12-5-1-2-9-15(12)16/h1-11,18H
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n/an/a 17n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)


Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))
BDBM50116700
PNG
(CHEMBL3608699)
Show SMILES Clc1cccc(Nc2ccnc3ccccc23)c1
Show InChI InChI=1S/C15H11ClN2/c16-11-4-3-5-12(10-11)18-15-8-9-17-14-7-2-1-6-13(14)15/h1-10H,(H,17,18)
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n/an/a 18n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)


Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Sodium-dependent proline transporter


(Homo sapiens (Human))
BDBM50052641
PNG
(CHEMBL3318586)
Show SMILES Clc1cccc(c1)-c1ccc(cc1)C(=O)N1C2CCC1CN(C2)c1ncccn1 |TLB:13:15:21.22.20:17.18,THB:23:21:15:17.18|
Show InChI InChI=1S/C23H21ClN4O/c24-19-4-1-3-18(13-19)16-5-7-17(8-6-16)22(29)28-20-9-10-21(28)15-27(14-20)23-25-11-2-12-26-23/h1-8,11-13,20-21H,9-10,14-15H2
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human high-affinity L-proline transporter expressed in COS1 cells by [3H]proline uptake assay


Bioorg Med Chem Lett 24: 3886-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.049
BindingDB Entry DOI: 10.7270/Q20C4XDG
More data for this
Ligand-Target Pair
Sodium-dependent proline transporter


(Homo sapiens (Human))
BDBM50052723
PNG
(CHEMBL3318579)
Show SMILES C[C@H]1CN(CCN1C(=O)c1ccc(cc1)-c1ccc(Cl)cc1)c1ncccn1 |r|
Show InChI InChI=1S/C22H21ClN4O/c1-16-15-26(22-24-11-2-12-25-22)13-14-27(16)21(28)19-5-3-17(4-6-19)18-7-9-20(23)10-8-18/h2-12,16H,13-15H2,1H3/t16-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human high-affinity L-proline transporter expressed in COS1 cells by [3H]proline uptake assay


Bioorg Med Chem Lett 24: 3886-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.049
BindingDB Entry DOI: 10.7270/Q20C4XDG
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))
BDBM50116775
PNG
(CHEMBL3608797)
Show SMILES Clc1cccc(Nc2n[nH]c3ccc(Br)cc23)c1
Show InChI InChI=1S/C13H9BrClN3/c14-8-4-5-12-11(6-8)13(18-17-12)16-10-3-1-2-9(15)7-10/h1-7H,(H2,16,17,18)
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)


Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Sodium-dependent proline transporter


(Homo sapiens (Human))
BDBM50052718
PNG
(CHEMBL3318574)
Show SMILES CC1CN(CC(C)N1C(=O)c1ccc(cc1)-c1cccc(Cl)c1)c1ncccn1
Show InChI InChI=1S/C23H23ClN4O/c1-16-14-27(23-25-11-4-12-26-23)15-17(2)28(16)22(29)19-9-7-18(8-10-19)20-5-3-6-21(24)13-20/h3-13,16-17H,14-15H2,1-2H3
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n/an/a 24n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human high-affinity L-proline transporter expressed in COS1 cells by [3H]proline uptake assay


Bioorg Med Chem Lett 24: 3886-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.049
BindingDB Entry DOI: 10.7270/Q20C4XDG
More data for this
Ligand-Target Pair
Sodium-dependent proline transporter


(Homo sapiens (Human))
BDBM50052729
PNG
(CHEMBL3318585)
Show SMILES Clc1cccc(c1)-c1ccc(cc1)C(=O)N1CC2CCC(C1)N2c1ncccn1 |TLB:13:15:22:18.19|
Show InChI InChI=1S/C23H21ClN4O/c24-19-4-1-3-18(13-19)16-5-7-17(8-6-16)22(29)27-14-20-9-10-21(15-27)28(20)23-25-11-2-12-26-23/h1-8,11-13,20-21H,9-10,14-15H2
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n/an/a 27n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human high-affinity L-proline transporter expressed in COS1 cells by [3H]proline uptake assay


Bioorg Med Chem Lett 24: 3886-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.049
BindingDB Entry DOI: 10.7270/Q20C4XDG
More data for this
Ligand-Target Pair
Sodium-dependent proline transporter


(Homo sapiens (Human))
BDBM50052648
PNG
(CHEMBL3318563)
Show SMILES Cc1csc(c1)-c1ccc(cc1)C(=O)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C20H20N4OS/c1-15-13-18(26-14-15)16-3-5-17(6-4-16)19(25)23-9-11-24(12-10-23)20-21-7-2-8-22-20/h2-8,13-14H,9-12H2,1H3
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human high-affinity L-proline transporter expressed in COS1 cells by [3H]proline uptake assay


Bioorg Med Chem Lett 24: 3886-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.049
BindingDB Entry DOI: 10.7270/Q20C4XDG
More data for this
Ligand-Target Pair
Sodium-dependent proline transporter


(Homo sapiens (Human))
BDBM50052660
PNG
(CHEMBL3318552)
Show SMILES Cc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C22H22N4O/c1-17-3-5-18(6-4-17)19-7-9-20(10-8-19)21(27)25-13-15-26(16-14-25)22-23-11-2-12-24-22/h2-12H,13-16H2,1H3
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n/an/a 34n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human high-affinity L-proline transporter expressed in COS1 cells by [3H]proline uptake assay


Bioorg Med Chem Lett 24: 3886-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.049
BindingDB Entry DOI: 10.7270/Q20C4XDG
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))
BDBM50116703
PNG
(CHEMBL3608696)
Show SMILES Nc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C13H10Cl2N2O/c14-8-2-1-3-10(6-8)17-13(18)11-7-9(15)4-5-12(11)16/h1-7H,16H2,(H,17,18)
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)


Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Sodium-dependent proline transporter


(Homo sapiens (Human))
BDBM50052640
PNG
(CHEMBL3318548)
Show SMILES Clc1cccc(c1)-c1ccc(cc1)C(=O)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H19ClN4O/c22-19-4-1-3-18(15-19)16-5-7-17(8-6-16)20(27)25-11-13-26(14-12-25)21-23-9-2-10-24-21/h1-10,15H,11-14H2
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human high-affinity L-proline transporter expressed in COS1 cells by [3H]proline uptake assay


Bioorg Med Chem Lett 24: 3886-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.049
BindingDB Entry DOI: 10.7270/Q20C4XDG
More data for this
Ligand-Target Pair
Sodium-dependent proline transporter


(Homo sapiens (Human))
BDBM50052728
PNG
(CHEMBL3318584)
Show SMILES Clc1cccc(c1)-c1ccc(cc1)C(=O)N1CC2CN(CC2C1)c1ncccn1
Show InChI InChI=1S/C23H21ClN4O/c24-21-4-1-3-18(11-21)16-5-7-17(8-6-16)22(29)27-12-19-14-28(15-20(19)13-27)23-25-9-2-10-26-23/h1-11,19-20H,12-15H2
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human high-affinity L-proline transporter expressed in COS1 cells by [3H]proline uptake assay


Bioorg Med Chem Lett 24: 3886-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.049
BindingDB Entry DOI: 10.7270/Q20C4XDG
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))
BDBM50116768
PNG
(CHEMBL3608702)
Show SMILES Clc1cccc(Nc2ncnc3ccsc23)c1
Show InChI InChI=1S/C12H8ClN3S/c13-8-2-1-3-9(6-8)16-12-11-10(4-5-17-11)14-7-15-12/h1-7H,(H,14,15,16)
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)


Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Sodium-dependent proline transporter


(Homo sapiens (Human))
BDBM50052658
PNG
(CHEMBL3317462)
Show SMILES Clc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H19ClN4O/c22-19-8-6-17(7-9-19)16-2-4-18(5-3-16)20(27)25-12-14-26(15-13-25)21-23-10-1-11-24-21/h1-11H,12-15H2
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human high-affinity L-proline transporter expressed in COS1 cells by [3H]proline uptake assay


Bioorg Med Chem Lett 24: 3886-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.049
BindingDB Entry DOI: 10.7270/Q20C4XDG
More data for this
Ligand-Target Pair
Sodium-dependent proline transporter


(Homo sapiens (Human))
BDBM50052717
PNG
(CHEMBL3318573)
Show SMILES CC1(C)CN(CCN1C(=O)c1ccc(cc1)-c1cccc(Cl)c1)c1ncccn1
Show InChI InChI=1S/C23H23ClN4O/c1-23(2)16-27(22-25-11-4-12-26-22)13-14-28(23)21(29)18-9-7-17(8-10-18)19-5-3-6-20(24)15-19/h3-12,15H,13-14,16H2,1-2H3
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human high-affinity L-proline transporter expressed in COS1 cells by [3H]proline uptake assay


Bioorg Med Chem Lett 24: 3886-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.049
BindingDB Entry DOI: 10.7270/Q20C4XDG
More data for this
Ligand-Target Pair
Sodium-dependent proline transporter


(Homo sapiens (Human))
BDBM50052724
PNG
(CHEMBL3318580)
Show SMILES C[C@@H]1CN(CCN1C(=O)c1ccc(cc1)-c1ccc(Cl)cc1)c1ncccn1 |r|
Show InChI InChI=1S/C22H21ClN4O/c1-16-15-26(22-24-11-2-12-25-22)13-14-27(16)21(28)19-5-3-17(4-6-19)18-7-9-20(23)10-8-18/h2-12,16H,13-15H2,1H3/t16-/m1/s1
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human high-affinity L-proline transporter expressed in COS1 cells by [3H]proline uptake assay


Bioorg Med Chem Lett 24: 3886-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.049
BindingDB Entry DOI: 10.7270/Q20C4XDG
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))
BDBM50116773
PNG
(CHEMBL3608795)
Show SMILES Fc1ccc2[nH]nc(Nc3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C13H9ClFN3/c14-8-2-1-3-10(6-8)16-13-11-7-9(15)4-5-12(11)17-18-13/h1-7H,(H2,16,17,18)
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)


Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))
BDBM50116708
PNG
(CHEMBL2263368)
Show SMILES Nc1ccccc1C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C13H11ClN2O/c14-9-4-3-5-10(8-9)16-13(17)11-6-1-2-7-12(11)15/h1-8H,15H2,(H,16,17)
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)


Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))
BDBM50116772
PNG
(CHEMBL3608794)
Show SMILES Fc1cccc(Nc2n[nH]c3ccccc23)c1
Show InChI InChI=1S/C13H10FN3/c14-9-4-3-5-10(8-9)15-13-11-6-1-2-7-12(11)16-17-13/h1-8H,(H2,15,16,17)
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)


Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Sodium-dependent proline transporter


(Homo sapiens (Human))
BDBM50052647
PNG
(CHEMBL3318564)
Show SMILES Cc1ccc(s1)-c1ccc(cc1)C(=O)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C20H20N4OS/c1-15-3-8-18(26-15)16-4-6-17(7-5-16)19(25)23-11-13-24(14-12-23)20-21-9-2-10-22-20/h2-10H,11-14H2,1H3
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human high-affinity L-proline transporter expressed in COS1 cells by [3H]proline uptake assay


Bioorg Med Chem Lett 24: 3886-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.049
BindingDB Entry DOI: 10.7270/Q20C4XDG
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))
BDBM50116704
PNG
(CHEMBL3608695)
Show SMILES Nc1ccc(F)cc1C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C13H10ClFN2O/c14-8-2-1-3-10(6-8)17-13(18)11-7-9(15)4-5-12(11)16/h1-7H,16H2,(H,17,18)
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)


Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Sodium-dependent proline transporter


(Homo sapiens (Human))
BDBM50052663
PNG
(CHEMBL3318549)
Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(cc1)C(=O)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C22H19F3N4O/c23-22(24,25)19-4-1-3-18(15-19)16-5-7-17(8-6-16)20(30)28-11-13-29(14-12-28)21-26-9-2-10-27-21/h1-10,15H,11-14H2
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human high-affinity L-proline transporter expressed in COS1 cells by [3H]proline uptake assay


Bioorg Med Chem Lett 24: 3886-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.049
BindingDB Entry DOI: 10.7270/Q20C4XDG
More data for this
Ligand-Target Pair
Sodium-dependent proline transporter


(Homo sapiens (Human))
BDBM50052662
PNG
(CHEMBL3318550)
Show SMILES FC(F)(F)Oc1cccc(c1)-c1ccc(cc1)C(=O)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C22H19F3N4O2/c23-22(24,25)31-19-4-1-3-18(15-19)16-5-7-17(8-6-16)20(30)28-11-13-29(14-12-28)21-26-9-2-10-27-21/h1-10,15H,11-14H2
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human high-affinity L-proline transporter expressed in COS1 cells by [3H]proline uptake assay


Bioorg Med Chem Lett 24: 3886-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.049
BindingDB Entry DOI: 10.7270/Q20C4XDG
More data for this
Ligand-Target Pair
Sodium-dependent proline transporter


(Homo sapiens (Human))
BDBM50052720
PNG
(CHEMBL3318576)
Show SMILES OCC1CN(CCN1C(=O)c1ccc(cc1)-c1cccc(Cl)c1)c1ncccn1
Show InChI InChI=1S/C22H21ClN4O2/c23-19-4-1-3-18(13-19)16-5-7-17(8-6-16)21(29)27-12-11-26(14-20(27)15-28)22-24-9-2-10-25-22/h1-10,13,20,28H,11-12,14-15H2
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human high-affinity L-proline transporter expressed in COS1 cells by [3H]proline uptake assay


Bioorg Med Chem Lett 24: 3886-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.049
BindingDB Entry DOI: 10.7270/Q20C4XDG
More data for this
Ligand-Target Pair
Sodium-dependent proline transporter


(Homo sapiens (Human))
BDBM50052657
PNG
(CHEMBL3318554)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc(cc1)C(=O)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C22H19F3N4O/c23-22(24,25)19-8-6-17(7-9-19)16-2-4-18(5-3-16)20(30)28-12-14-29(15-13-28)21-26-10-1-11-27-21/h1-11H,12-15H2
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human high-affinity L-proline transporter expressed in COS1 cells by [3H]proline uptake assay


Bioorg Med Chem Lett 24: 3886-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.049
BindingDB Entry DOI: 10.7270/Q20C4XDG
More data for this
Ligand-Target Pair
Sodium-dependent proline transporter


(Homo sapiens (Human))
BDBM50052659
PNG
(CHEMBL3318553)
Show SMILES CCc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C23H24N4O/c1-2-18-4-6-19(7-5-18)20-8-10-21(11-9-20)22(28)26-14-16-27(17-15-26)23-24-12-3-13-25-23/h3-13H,2,14-17H2,1H3
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human high-affinity L-proline transporter expressed in COS1 cells by [3H]proline uptake assay


Bioorg Med Chem Lett 24: 3886-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.049
BindingDB Entry DOI: 10.7270/Q20C4XDG
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))
BDBM50116771
PNG
(CHEMBL3608793)
Show SMILES Clc1cccc(Nc2n[nH]c3ccccc23)c1
Show InChI InChI=1S/C13H10ClN3/c14-9-4-3-5-10(8-9)15-13-11-6-1-2-7-12(11)16-17-13/h1-8H,(H2,15,16,17)
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)


Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Sodium-dependent proline transporter


(Homo sapiens (Human))
BDBM50052725
PNG
(CHEMBL3318581)
Show SMILES Clc1cccc(c1)-c1ccc(cc1)C(=O)N1CCCN(CC1)c1ncccn1
Show InChI InChI=1S/C22H21ClN4O/c23-20-5-1-4-19(16-20)17-6-8-18(9-7-17)21(28)26-12-3-13-27(15-14-26)22-24-10-2-11-25-22/h1-2,4-11,16H,3,12-15H2
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human high-affinity L-proline transporter expressed in COS1 cells by [3H]proline uptake assay


Bioorg Med Chem Lett 24: 3886-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.049
BindingDB Entry DOI: 10.7270/Q20C4XDG
More data for this
Ligand-Target Pair
Sodium-dependent proline transporter


(Homo sapiens (Human))
BDBM50052721
PNG
(CHEMBL3318577)
Show SMILES OC(=O)C1CN(CCN1C(=O)c1ccc(cc1)-c1cccc(Cl)c1)c1ncccn1
Show InChI InChI=1S/C22H19ClN4O3/c23-18-4-1-3-17(13-18)15-5-7-16(8-6-15)20(28)27-12-11-26(14-19(27)21(29)30)22-24-9-2-10-25-22/h1-10,13,19H,11-12,14H2,(H,29,30)
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human high-affinity L-proline transporter expressed in COS1 cells by [3H]proline uptake assay


Bioorg Med Chem Lett 24: 3886-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.049
BindingDB Entry DOI: 10.7270/Q20C4XDG
More data for this
Ligand-Target Pair
Sodium-dependent proline transporter


(Homo sapiens (Human))
BDBM50052708
PNG
(CHEMBL3318540)
Show SMILES O=C(N1CCN(CC1)c1nccs1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H19N3OS/c24-19(22-11-13-23(14-12-22)20-21-10-15-25-20)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-10,15H,11-14H2
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human high-affinity L-proline transporter expressed in COS1 cells by [3H]proline uptake assay


Bioorg Med Chem Lett 24: 3886-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.049
BindingDB Entry DOI: 10.7270/Q20C4XDG
More data for this
Ligand-Target Pair
Sodium-dependent proline transporter


(Homo sapiens (Human))
BDBM50052649
PNG
(CHEMBL3318562)
Show SMILES Clc1ccc(s1)-c1ccc(cc1)C(=O)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C19H17ClN4OS/c20-17-7-6-16(26-17)14-2-4-15(5-3-14)18(25)23-10-12-24(13-11-23)19-21-8-1-9-22-19/h1-9H,10-13H2
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human high-affinity L-proline transporter expressed in COS1 cells by [3H]proline uptake assay


Bioorg Med Chem Lett 24: 3886-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.049
BindingDB Entry DOI: 10.7270/Q20C4XDG
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))
BDBM50116781
PNG
(CHEMBL2263369)
Show SMILES Nc1ccccc1C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C13H10ClFN2O/c14-10-7-8(5-6-11(10)15)17-13(18)9-3-1-2-4-12(9)16/h1-7H,16H2,(H,17,18)
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)


Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Sodium-dependent proline transporter


(Homo sapiens (Human))
BDBM50052713
PNG
(CHEMBL1543754)
Show SMILES O=C(N1CCN(CC1)c1ccccn1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H21N3O/c26-22(20-11-9-19(10-12-20)18-6-2-1-3-7-18)25-16-14-24(15-17-25)21-8-4-5-13-23-21/h1-13H,14-17H2
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human high-affinity L-proline transporter expressed in COS1 cells by [3H]proline uptake assay


Bioorg Med Chem Lett 24: 3886-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.049
BindingDB Entry DOI: 10.7270/Q20C4XDG
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))
BDBM50116770
PNG
(CHEMBL3608704)
Show SMILES Clc1cccc(NC2CCc3ccccc23)c1
Show InChI InChI=1S/C15H14ClN/c16-12-5-3-6-13(10-12)17-15-9-8-11-4-1-2-7-14(11)15/h1-7,10,15,17H,8-9H2
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)


Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))
BDBM50116705
PNG
(CHEMBL460481)
Show SMILES Oc1ccccc1C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C13H10ClNO2/c14-9-4-3-5-10(8-9)15-13(17)11-6-1-2-7-12(11)16/h1-8,16H,(H,15,17)
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)


Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Sodium-dependent proline transporter


(Homo sapiens (Human))
BDBM50052656
PNG
(CHEMBL3318555)
Show SMILES O=C(N1CCN(CC1)c1ncccn1)c1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C22H19N5O/c23-16-17-2-4-18(5-3-17)19-6-8-20(9-7-19)21(28)26-12-14-27(15-13-26)22-24-10-1-11-25-22/h1-11H,12-15H2
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human high-affinity L-proline transporter expressed in COS1 cells by [3H]proline uptake assay


Bioorg Med Chem Lett 24: 3886-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.049
BindingDB Entry DOI: 10.7270/Q20C4XDG
More data for this
Ligand-Target Pair
Sodium-dependent proline transporter


(Homo sapiens (Human))
BDBM50052661
PNG
(CHEMBL3318551)
Show SMILES O=C(N1CCN(CC1)c1ncccn1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C22H19N5O/c23-16-17-3-1-4-20(15-17)18-5-7-19(8-6-18)21(28)26-11-13-27(14-12-26)22-24-9-2-10-25-22/h1-10,15H,11-14H2
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human high-affinity L-proline transporter expressed in COS1 cells by [3H]proline uptake assay


Bioorg Med Chem Lett 24: 3886-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.049
BindingDB Entry DOI: 10.7270/Q20C4XDG
More data for this
Ligand-Target Pair
Sodium-dependent proline transporter


(Homo sapiens (Human))
BDBM50052655
PNG
(CHEMBL3318556)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C22H22N4O2/c1-28-20-9-7-18(8-10-20)17-3-5-19(6-4-17)21(27)25-13-15-26(16-14-25)22-23-11-2-12-24-22/h2-12H,13-16H2,1H3
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human high-affinity L-proline transporter expressed in COS1 cells by [3H]proline uptake assay


Bioorg Med Chem Lett 24: 3886-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.049
BindingDB Entry DOI: 10.7270/Q20C4XDG
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))
BDBM50116780
PNG
(CHEMBL3608803)
Show SMILES Nc1ccccc1C(=O)Nc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C13H10Cl2N2O/c14-8-5-9(15)7-10(6-8)17-13(18)11-3-1-2-4-12(11)16/h1-7H,16H2,(H,17,18)
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)


Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))
BDBM50116777
PNG
(CHEMBL3608799)
Show SMILES FC(F)(F)c1ccc2[nH]nc(Nc3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C14H9ClF3N3/c15-9-2-1-3-10(7-9)19-13-11-6-8(14(16,17)18)4-5-12(11)20-21-13/h1-7H,(H2,19,20,21)
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n/an/a 254n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)


Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Acyl-CoA (8-3)-desaturase


(Homo sapiens (Human))
BDBM50116769
PNG
(CHEMBL3608703)
Show SMILES Clc1cccc(Nc2ncnc3sccc23)c1
Show InChI InChI=1S/C12H8ClN3S/c13-8-2-1-3-9(6-8)16-11-10-4-5-17-12(10)15-7-14-11/h1-7H,(H,14,15,16)
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of liver delta-5 desaturase (unknown origin)


Bioorg Med Chem Lett 25: 3836-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.07.066
BindingDB Entry DOI: 10.7270/Q2MP552Z
More data for this
Ligand-Target Pair
Sodium-dependent proline transporter


(Homo sapiens (Human))
BDBM50052654
PNG
(CHEMBL3318557)
Show SMILES Fc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H19FN4O/c22-19-8-6-17(7-9-19)16-2-4-18(5-3-16)20(27)25-12-14-26(15-13-25)21-23-10-1-11-24-21/h1-11H,12-15H2
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human high-affinity L-proline transporter expressed in COS1 cells by [3H]proline uptake assay


Bioorg Med Chem Lett 24: 3886-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.049
BindingDB Entry DOI: 10.7270/Q20C4XDG
More data for this
Ligand-Target Pair
Sodium-dependent proline transporter


(Homo sapiens (Human))
BDBM50052644
PNG
(CHEMBL3318567)
Show SMILES O=C(N1CCN(CC1)c1ncccn1)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C22H22N4O2/c27-21(25-13-15-26(16-14-25)22-23-11-4-12-24-22)19-7-9-20(10-8-19)28-17-18-5-2-1-3-6-18/h1-12H,13-17H2
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n/an/a 270n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human high-affinity L-proline transporter expressed in COS1 cells by [3H]proline uptake assay


Bioorg Med Chem Lett 24: 3886-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.049
BindingDB Entry DOI: 10.7270/Q20C4XDG
More data for this
Ligand-Target Pair
Sodium-dependent proline transporter


(Homo sapiens (Human))
BDBM50052704
PNG
(CHEMBL3318543)
Show SMILES Cc1ccnc(n1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H22N4O/c1-17-11-12-23-22(24-17)26-15-13-25(14-16-26)21(27)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-12H,13-16H2,1H3
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n/an/a 270n/an/an/an/an/an/a



Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human high-affinity L-proline transporter expressed in COS1 cells by [3H]proline uptake assay


Bioorg Med Chem Lett 24: 3886-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.049
BindingDB Entry DOI: 10.7270/Q20C4XDG
More data for this
Ligand-Target Pair
Sodium-dependent proline transporter


(Homo sapiens (Human))
BDBM50052705
PNG
(CHEMBL1594803)
Show SMILES O=C(N1CCN(CC1)c1ncccn1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H20N4O/c26-20(19-9-7-18(8-10-19)17-5-2-1-3-6-17)24-13-15-25(16-14-24)21-22-11-4-12-23-21/h1-12H,13-16H2
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Lexicon Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human high-affinity L-proline transporter expressed in COS1 cells by [3H]proline uptake assay


Bioorg Med Chem Lett 24: 3886-90 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.049
BindingDB Entry DOI: 10.7270/Q20C4XDG
More data for this
Ligand-Target Pair
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