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Compile Data Set for Download or QSAR

Found 8 hits of ic50 for UniProtKB: Q62805   
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
Galanin receptor type 1


(RAT)
BDBM50256665
PNG
((3S,6S,9S,12S)-3-benzyl-9,12-di-sec-butyl-6-((2S,3...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)[C@@H](C)CC)[C@H](C)[C@@H](C)O |r|
Show InChI InChI=1S/C27H42N4O5/c1-7-15(3)21-25(34)30-22(16(4)8-2)26(35)31-23(17(5)18(6)32)27(36)28-20(24(33)29-21)14-19-12-10-9-11-13-19/h9-13,15-18,20-23,32H,7-8,14H2,1-6H3,(H,28,36)(H,29,33)(H,30,34)(H,31,35)/t15-,16-,17+,18+,20-,21-,22-,23-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at rat glycine transporter 1 expressed in african green monkey COS7 cells


Bioorg Med Chem Lett 18: 6321-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.104
BindingDB Entry DOI: 10.7270/Q2BZ65WC
More data for this
Ligand-Target Pair
Galanin receptor type 1


(RAT)
BDBM50149871
PNG
((R)-2-((3-(biphenyl-4-yloxy)-3-(4-fluorophenyl)pro...)
Show SMILES CN(CC[C@@H](Oc1ccc(cc1)-c1ccccc1)c1ccc(F)cc1)CC(O)=O |r|
Show InChI InChI=1S/C24H24FNO3/c1-26(17-24(27)28)16-15-23(20-7-11-21(25)12-8-20)29-22-13-9-19(10-14-22)18-5-3-2-4-6-18/h2-14,23H,15-17H2,1H3,(H,27,28)/t23-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at rat glycine transporter 1 expressed in african green monkey COS7 cells


Bioorg Med Chem Lett 18: 6321-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.104
BindingDB Entry DOI: 10.7270/Q2BZ65WC
More data for this
Ligand-Target Pair
Galanin receptor type 1


(RAT)
BDBM50256666
PNG
((3S,6S,9S,12S)-3-benzyl-12-sec-butyl-6-((2S,3R)-3-...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)[C@H](C)[C@@H](C)O |r|
Show InChI InChI=1S/C26H40N4O5/c1-7-15(4)21-25(34)28-20(14(2)3)24(33)30-22(16(5)17(6)31)26(35)27-19(23(32)29-21)13-18-11-9-8-10-12-18/h8-12,14-17,19-22,31H,7,13H2,1-6H3,(H,27,35)(H,28,34)(H,29,32)(H,30,33)/t15-,16+,17+,19-,20-,21-,22-/m0/s1
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n/an/a 10.2n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at rat glycine transporter 1 expressed in african green monkey COS7 cells


Bioorg Med Chem Lett 18: 6321-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.104
BindingDB Entry DOI: 10.7270/Q2BZ65WC
More data for this
Ligand-Target Pair
Galanin receptor type 1


(RAT)
BDBM50256705
PNG
((3S,6S,9S,12S)-3-benzyl-6-((2S,3R)-3-hydroxybutan-...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)[C@H](C)[C@@H](C)O |r|
Show InChI InChI=1S/C25H38N4O5/c1-13(2)19-23(32)28-20(14(3)4)24(33)29-21(15(5)16(6)30)25(34)26-18(22(31)27-19)12-17-10-8-7-9-11-17/h7-11,13-16,18-21,30H,12H2,1-6H3,(H,26,34)(H,27,31)(H,28,32)(H,29,33)/t15-,16-,18+,19+,20+,21+/m1/s1
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n/an/a 11.1n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at rat glycine transporter 1 expressed in african green monkey COS7 cells


Bioorg Med Chem Lett 18: 6321-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.104
BindingDB Entry DOI: 10.7270/Q2BZ65WC
More data for this
Ligand-Target Pair
Galanin receptor type 1


(RAT)
BDBM50256704
PNG
((3S,6S,9S,12S)-3-benzyl-9-sec-butyl-6-((2S,3R)-3-h...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC1=O)[C@H](C)[C@@H](C)O)C(C)C |r|
Show InChI InChI=1S/C26H40N4O5/c1-7-15(4)21-25(34)30-22(16(5)17(6)31)26(35)27-19(13-18-11-9-8-10-12-18)23(32)28-20(14(2)3)24(33)29-21/h8-12,14-17,19-22,31H,7,13H2,1-6H3,(H,27,35)(H,28,32)(H,29,33)(H,30,34)/t15-,16+,17+,19-,20-,21-,22-/m0/s1
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n/an/a 11.4n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at rat glycine transporter 1 expressed in african green monkey COS7 cells


Bioorg Med Chem Lett 18: 6321-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.104
BindingDB Entry DOI: 10.7270/Q2BZ65WC
More data for this
Ligand-Target Pair
Galanin receptor type 1


(RAT)
BDBM50256664
PNG
((S)-2-((2S,5S,8S,11S)-5-benzyl-8,11-di-sec-butyl-3...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)[C@@H](C)CC)[C@H](CS(O)(=O)=O)C(C)=O |r|
Show InChI InChI=1S/C27H40N4O8S/c1-6-15(3)21-25(34)30-22(16(4)7-2)26(35)31-23(19(17(5)32)14-40(37,38)39)27(36)28-20(24(33)29-21)13-18-11-9-8-10-12-18/h8-12,15-16,19-23H,6-7,13-14H2,1-5H3,(H,28,36)(H,29,33)(H,30,34)(H,31,35)(H,37,38,39)/t15-,16-,19+,20-,21-,22-,23-/m0/s1
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n/an/a 20.4n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at rat glycine transporter 1 expressed in african green monkey COS7 cells


Bioorg Med Chem Lett 18: 6321-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.104
BindingDB Entry DOI: 10.7270/Q2BZ65WC
More data for this
Ligand-Target Pair
Galanin receptor type 1


(RAT)
BDBM50256706
PNG
((3S,6S,9S,12S)-3-benzyl-6,9,12-tri-sec-butyl-1,4,7...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)[C@@H](C)CC)[C@@H](C)CC |r|
Show InChI InChI=1S/C27H42N4O4/c1-7-16(4)21-25(33)28-20(15-19-13-11-10-12-14-19)24(32)29-22(17(5)8-2)26(34)31-23(18(6)9-3)27(35)30-21/h10-14,16-18,20-23H,7-9,15H2,1-6H3,(H,28,33)(H,29,32)(H,30,35)(H,31,34)/t16-,17-,18-,20-,21-,22-,23-/m0/s1
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n/an/a 29.6n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at rat glycine transporter 1 expressed in african green monkey COS7 cells


Bioorg Med Chem Lett 18: 6321-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.104
BindingDB Entry DOI: 10.7270/Q2BZ65WC
More data for this
Ligand-Target Pair
Galanin receptor type 1


(RAT)
BDBM50256746
PNG
((3S,6S,9S,15aR)-9-sec-butyl-6-((1-methoxy-1H-indol...)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCC(C)=O)NC(=O)[C@H]2CCCCN2C1=O |r|
Show InChI InChI=1S/C32H45N5O6/c1-5-20(2)28-32(42)36-17-11-10-16-27(36)31(41)33-24(14-8-6-12-21(3)38)29(39)34-25(30(40)35-28)18-22-19-37(43-4)26-15-9-7-13-23(22)26/h7,9,13,15,19-20,24-25,27-28H,5-6,8,10-12,14,16-18H2,1-4H3,(H,33,41)(H,34,39)(H,35,40)/t20-,24-,25-,27+,28-/m0/s1
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n/an/a 94.6n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at rat glycine transporter 1 expressed in african green monkey COS7 cells


Bioorg Med Chem Lett 18: 6321-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.104
BindingDB Entry DOI: 10.7270/Q2BZ65WC
More data for this
Ligand-Target Pair