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Compile Data Set for Download or QSAR

Found 995 hits from AbbVie Deutschland GmbH & Co. KG   
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
Glycine transporter 1


(Homo sapiens (Human))
BDBM202238
PNG
(US9238619, 3)
Show SMILES Cn1cc(cn1)S(=O)(=O)NCCOc1cc(ccc1F)C(CN)Cc1ccccc1
Show InChI InChI=1/C21H25FN4O3S/c1-26-15-19(14-24-26)30(27,28)25-9-10-29-21-12-17(7-8-20(21)22)18(13-23)11-16-5-3-2-4-6-16/h2-8,12,14-15,18,25H,9-11,13,23H2,1H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM202239
PNG
(US9238619, 4)
Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1cc(ccc1F)C(CN)Cc1ccccc1
Show InChI InChI=1/C21H25FN4O3S/c1-26-14-21(24-15-26)30(27,28)25-9-10-29-20-12-17(7-8-19(20)22)18(13-23)11-16-5-3-2-4-6-16/h2-8,12,14-15,18,25H,9-11,13,23H2,1H3
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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US Patent
<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM202314
PNG
(US9238619, 50)
Show SMILES Cn1cc(cn1)S(=O)(=O)NCCOc1cccc(c1)C1(Cc2ccccc2)CNC1
Show InChI InChI=1S/C22H26N4O3S/c1-26-15-21(14-24-26)30(27,28)25-10-11-29-20-9-5-8-19(12-20)22(16-23-17-22)13-18-6-3-2-4-7-18/h2-9,12,14-15,23,25H,10-11,13,16-17H2,1H3
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM202361
PNG
(US9238619, 78)
Show SMILES CN1CC(Cc2ccccc2)(C1)c1cccc(OCCNS(=O)(=O)c2cn(C)cn2)c1
Show InChI InChI=1S/C23H28N4O3S/c1-26-15-22(24-18-26)31(28,29)25-11-12-30-21-10-6-9-20(13-21)23(16-27(2)17-23)14-19-7-4-3-5-8-19/h3-10,13,15,18,25H,11-12,14,16-17H2,1-2H3
KEGG

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PC cid
PC sid
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US Patent
<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM202359
PNG
(US9238619, 76)
Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1cccc(c1)C1(Cc2ccccc2)CCN(CC(C)(C)C)C1
Show InChI InChI=1/C28H38N4O3S/c1-27(2,3)20-32-15-13-28(21-32,18-23-9-6-5-7-10-23)24-11-8-12-25(17-24)35-16-14-30-36(33,34)26-19-31(4)22-29-26/h5-12,17,19,22,30H,13-16,18,20-21H2,1-4H3
KEGG

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PC cid
PC sid
UniChem
US Patent
<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM202240
PNG
(US9238619, 5)
Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1cccc(c1)C(CN)Cc1ccccc1
Show InChI InChI=1/C21H26N4O3S/c1-25-15-21(23-16-25)29(26,27)24-10-11-28-20-9-5-8-18(13-20)19(14-22)12-17-6-3-2-4-7-17/h2-9,13,15-16,19,24H,10-12,14,22H2,1H3
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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US Patent
<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM202241
PNG
(US9238619, 6)
Show SMILES Cn1cc(cn1)S(=O)(=O)NCCOc1cccc(c1)C(CN)Cc1ccccc1
Show InChI InChI=1/C21H26N4O3S/c1-25-16-21(15-23-25)29(26,27)24-10-11-28-20-9-5-8-18(13-20)19(14-22)12-17-6-3-2-4-7-17/h2-9,13,15-16,19,24H,10-12,14,22H2,1H3
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM202247
PNG
(US9238619, 10)
Show SMILES Cn1cc(cn1)S(=O)(=O)NCCOc1cccc(c1)C(CN)Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1/C22H25F3N4O3S/c1-29-15-21(14-27-29)33(30,31)28-8-9-32-20-7-3-5-17(12-20)18(13-26)10-16-4-2-6-19(11-16)22(23,24)25/h2-7,11-12,14-15,18,28H,8-10,13,26H2,1H3
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM202249
PNG
(US9238619, 12)
Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1cccc(c1)C(CN)Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1/C22H25F3N4O3S/c1-29-14-21(27-15-29)33(30,31)28-8-9-32-20-7-3-5-17(12-20)18(13-26)10-16-4-2-6-19(11-16)22(23,24)25/h2-7,11-12,14-15,18,28H,8-10,13,26H2,1H3
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM202260
PNG
(US9238619, 18)
Show SMILES Cn1cc(cn1)S(=O)(=O)NCc1cccc(c1)C(CN)Cc1ccccc1
Show InChI InChI=1/C20H24N4O2S/c1-24-15-20(14-22-24)27(25,26)23-13-17-8-5-9-18(11-17)19(12-21)10-16-6-3-2-4-7-16/h2-9,11,14-15,19,23H,10,12-13,21H2,1H3
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM202265
PNG
(US9238619, 23)
Show SMILES CN(C)CC(Cc1ccccc1)c1cc(OCCNS(=O)(=O)c2cn(C)cn2)ccc1F
Show InChI InChI=1/C23H29FN4O3S/c1-27(2)15-19(13-18-7-5-4-6-8-18)21-14-20(9-10-22(21)24)31-12-11-26-32(29,30)23-16-28(3)17-25-23/h4-10,14,16-17,19,26H,11-13,15H2,1-3H3
KEGG

UniProtKB/SwissProt

DrugBank
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PC cid
PC sid
UniChem
US Patent
<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM202266
PNG
(US9238619, 24)
Show SMILES CN(C)CC(Cc1ccccc1)c1cccc(OCCNS(=O)(=O)c2cnn(C)c2)c1
Show InChI InChI=1/C23H30N4O3S/c1-26(2)17-21(14-19-8-5-4-6-9-19)20-10-7-11-22(15-20)30-13-12-25-31(28,29)23-16-24-27(3)18-23/h4-11,15-16,18,21,25H,12-14,17H2,1-3H3
KEGG

UniProtKB/SwissProt

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PC cid
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UniChem
US Patent
<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM202270
PNG
(US9238619, 28)
Show SMILES CN(C)CC(Cc1cccc(c1)C(F)(F)F)c1cccc(OCCNS(=O)(=O)c2cnn(C)c2)c1
Show InChI InChI=1/C24H29F3N4O3S/c1-30(2)16-20(12-18-6-4-8-21(13-18)24(25,26)27)19-7-5-9-22(14-19)34-11-10-29-35(32,33)23-15-28-31(3)17-23/h4-9,13-15,17,20,29H,10-12,16H2,1-3H3
KEGG

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PC cid
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US Patent
<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM202271
PNG
(US9238619, 29)
Show SMILES CN(C)CC(Cc1cccc(c1)C(F)(F)F)c1cccc(OCCNS(=O)(=O)c2cn(C)cn2)c1
Show InChI InChI=1/C24H29F3N4O3S/c1-30(2)15-20(12-18-6-4-8-21(13-18)24(25,26)27)19-7-5-9-22(14-19)34-11-10-29-35(32,33)23-16-31(3)17-28-23/h4-9,13-14,16-17,20,29H,10-12,15H2,1-3H3
KEGG

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PC cid
PC sid
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US Patent
<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM202272
PNG
(US9238619, 30)
Show SMILES CN(C)CC(Cc1ccccc1)c1cc(OCCNS(=O)(=O)c2cnn(C)c2)ccc1Cl
Show InChI InChI=1/C23H29ClN4O3S/c1-27(2)16-19(13-18-7-5-4-6-8-18)22-14-20(9-10-23(22)24)31-12-11-26-32(29,30)21-15-25-28(3)17-21/h4-10,14-15,17,19,26H,11-13,16H2,1-3H3
KEGG

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PC cid
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<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM202273
PNG
(US9238619, 31)
Show SMILES CN(C)CC(Cc1ccccc1)c1ccc(F)c(OCCNS(=O)(=O)c2cnn(C)c2)c1
Show InChI InChI=1/C23H29FN4O3S/c1-27(2)16-20(13-18-7-5-4-6-8-18)19-9-10-22(24)23(14-19)31-12-11-26-32(29,30)21-15-25-28(3)17-21/h4-10,14-15,17,20,26H,11-13,16H2,1-3H3
KEGG

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PC cid
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US Patent
<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM202274
PNG
(US9238619, 32)
Show SMILES CN(C)CC(Cc1ccccc1)c1ccc(F)c(OCCNS(=O)(=O)c2cn(C)cn2)c1
Show InChI InChI=1/C23H29FN4O3S/c1-27(2)15-20(13-18-7-5-4-6-8-18)19-9-10-21(24)22(14-19)31-12-11-26-32(29,30)23-16-28(3)17-25-23/h4-10,14,16-17,20,26H,11-13,15H2,1-3H3
KEGG

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<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM202275
PNG
(US9238619, 33)
Show SMILES CN(C)CC(Cc1ccccc1)c1cc(OCCNS(=O)(=O)c2cnn(C)c2)ccc1F
Show InChI InChI=1/C23H29FN4O3S/c1-27(2)16-19(13-18-7-5-4-6-8-18)22-14-20(9-10-23(22)24)31-12-11-26-32(29,30)21-15-25-28(3)17-21/h4-10,14-15,17,19,26H,11-13,16H2,1-3H3
KEGG

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<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM202315
PNG
(US9238619, 51)
Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1cccc(c1)C1(Cc2ccccc2)CNC1
Show InChI InChI=1S/C22H26N4O3S/c1-26-14-21(24-17-26)30(27,28)25-10-11-29-20-9-5-8-19(12-20)22(15-23-16-22)13-18-6-3-2-4-7-18/h2-9,12,14,17,23,25H,10-11,13,15-16H2,1H3
KEGG

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US Patent
<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM202316
PNG
(US9238619, 52)
Show SMILES CN1CC(Cc2ccccc2)(C1)c1ccc(F)c(OCCNS(=O)(=O)c2cn(C)cn2)c1
Show InChI InChI=1S/C23H27FN4O3S/c1-27-14-22(25-17-27)32(29,30)26-10-11-31-21-12-19(8-9-20(21)24)23(15-28(2)16-23)13-18-6-4-3-5-7-18/h3-9,12,14,17,26H,10-11,13,15-16H2,1-2H3
KEGG

UniProtKB/SwissProt

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PC cid
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UniChem
US Patent
<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM202334
PNG
(US9238619, 59)
Show SMILES O=S(=O)(CC1CC1)NCCOc1cccc(c1)C1(Cc2ccccc2)CCNC1
Show InChI InChI=1/C23H30N2O3S/c26-29(27,17-20-9-10-20)25-13-14-28-22-8-4-7-21(15-22)23(11-12-24-18-23)16-19-5-2-1-3-6-19/h1-8,15,20,24-25H,9-14,16-18H2
KEGG

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PC cid
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UniChem
US Patent
<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM202335
PNG
(US9238619, 60)
Show SMILES Cn1cc(cn1)S(=O)(=O)NCCOc1cccc(c1)C1(Cc2ccccc2)CCNC1
Show InChI InChI=1/C23H28N4O3S/c1-27-17-22(16-25-27)31(28,29)26-12-13-30-21-9-5-8-20(14-21)23(10-11-24-18-23)15-19-6-3-2-4-7-19/h2-9,14,16-17,24,26H,10-13,15,18H2,1H3
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<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM202336
PNG
(US9238619, 61)
Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1cccc(c1)C1(Cc2ccccc2)CCNC1
Show InChI InChI=1/C23H28N4O3S/c1-27-16-22(25-18-27)31(28,29)26-12-13-30-21-9-5-8-20(14-21)23(10-11-24-17-23)15-19-6-3-2-4-7-19/h2-9,14,16,18,24,26H,10-13,15,17H2,1H3
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<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM202337
PNG
(US9238619, 62)
Show SMILES CN1CCCC(Cc2ccccc2)(C1)c1cccc(OCCNS(=O)(=O)c2cn(C)cn2)c1
Show InChI InChI=1/C25H32N4O3S/c1-28-14-7-12-25(19-28,17-21-8-4-3-5-9-21)22-10-6-11-23(16-22)32-15-13-27-33(30,31)24-18-29(2)20-26-24/h3-6,8-11,16,18,20,27H,7,12-15,17,19H2,1-2H3
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<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM202341
PNG
(US9238619, 63)
Show SMILES CN1CCCC(Cc2ccccc2)(C1)c1cccc(OCCNS(=O)(=O)c2cnn(C)c2)c1
Show InChI InChI=1/C25H32N4O3S/c1-28-14-7-12-25(20-28,17-21-8-4-3-5-9-21)22-10-6-11-23(16-22)32-15-13-27-33(30,31)24-18-26-29(2)19-24/h3-6,8-11,16,18-19,27H,7,12-15,17,20H2,1-2H3
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<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM202348
PNG
(US9238619, 67)
Show SMILES Cn1cc(cn1)S(=O)(=O)NCc1cccc(c1)C1(Cc2ccccc2)CCNC1
Show InChI InChI=1/C22H26N4O2S/c1-26-16-21(15-24-26)29(27,28)25-14-19-8-5-9-20(12-19)22(10-11-23-17-22)13-18-6-3-2-4-7-18/h2-9,12,15-16,23,25H,10-11,13-14,17H2,1H3
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<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM202351
PNG
(US9238619, 70)
Show SMILES CN1CCC(Cc2ccccc2)(C1)c1cccc(OCCNS(=O)(=O)c2cn(C)cn2)c1
Show InChI InChI=1/C24H30N4O3S/c1-27-13-11-24(18-27,16-20-7-4-3-5-8-20)21-9-6-10-22(15-21)31-14-12-26-32(29,30)23-17-28(2)19-25-23/h3-10,15,17,19,26H,11-14,16,18H2,1-2H3
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<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM202353
PNG
(US9238619, 72)
Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1cccc(c1)C1(Cc2ccccc2)CN(CCF)C1
Show InChI InChI=1S/C24H29FN4O3S/c1-28-16-23(26-19-28)33(30,31)27-11-13-32-22-9-5-8-21(14-22)24(17-29(18-24)12-10-25)15-20-6-3-2-4-7-20/h2-9,14,16,19,27H,10-13,15,17-18H2,1H3
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<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM202356
PNG
(US9238619, 73)
Show SMILES COCCN1CC(Cc2ccccc2)(C1)c1cccc(OCCNS(=O)(=O)c2cn(C)cn2)c1
Show InChI InChI=1S/C25H32N4O4S/c1-28-17-24(26-20-28)34(30,31)27-11-13-33-23-10-6-9-22(15-23)25(16-21-7-4-3-5-8-21)18-29(19-25)12-14-32-2/h3-10,15,17,20,27H,11-14,16,18-19H2,1-2H3
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<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM202358
PNG
(US9238619, 75)
Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1cccc(c1)C1(Cc2ccccc2)CCN(CCF)C1
Show InChI InChI=1/C25H31FN4O3S/c1-29-18-24(27-20-29)34(31,32)28-12-15-33-23-9-5-8-22(16-23)25(10-13-30(19-25)14-11-26)17-21-6-3-2-4-7-21/h2-9,16,18,20,28H,10-15,17,19H2,1H3
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<0.100n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50368698
PNG
(CHEMBL4161906)
Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1ccc2CC[C@H](N)[C@H](Cc3cccc(c3)C(F)(F)F)c2c1
Show InChI InChI=1S/C24H27F3N4O3S/c1-31-14-23(29-15-31)35(32,33)30-9-10-34-19-7-5-17-6-8-22(28)21(20(17)13-19)12-16-3-2-4-18(11-16)24(25,26)27/h2-5,7,11,13-15,21-22,30H,6,8-10,12,28H2,1H3/t21-,22+/m1/s1
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0.800n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

Curated by ChEMBL


Assay Description
Displacement of [3H]N-Methyl-SSR504734 from human GlyT1c expressed in cell membranes incubated for 1 hr by liquid scintillation spectrometry


J Med Chem 61: 7503-7524 (2018)

More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50368757
PNG
(CHEMBL4169829)
Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1ccc2CC[C@@H]([C@H](Cc3ccccc3)c2c1)N1CCC1
Show InChI InChI=1S/C26H32N4O3S/c1-29-18-26(27-19-29)34(31,32)28-12-15-33-22-10-8-21-9-11-25(30-13-5-14-30)24(23(21)17-22)16-20-6-3-2-4-7-20/h2-4,6-8,10,17-19,24-25,28H,5,9,11-16H2,1H3/t24-,25+/m1/s1
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0.800n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

Curated by ChEMBL


Assay Description
Displacement of [3H]N-Methyl-SSR504734 from human GlyT1c expressed in cell membranes incubated for 1 hr by liquid scintillation spectrometry


J Med Chem 61: 7503-7524 (2018)

More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50368693
PNG
(CHEMBL4171521)
Show SMILES O=S(=O)(CC1CC1)NC1CN(C1)c1ccc2CC[C@@H]([C@H](Cc3ccccc3)c2c1)N1CCC1
Show InChI InChI=1S/C27H35N3O2S/c31-33(32,19-21-7-8-21)28-23-17-30(18-23)24-11-9-22-10-12-27(29-13-4-14-29)26(25(22)16-24)15-20-5-2-1-3-6-20/h1-3,5-6,9,11,16,21,23,26-28H,4,7-8,10,12-15,17-19H2/t26-,27+/m1/s1
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0.900n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

Curated by ChEMBL


Assay Description
Displacement of [3H]N-Methyl-SSR504734 from human GlyT1c expressed in cell membranes incubated for 1 hr by liquid scintillation spectrometry


J Med Chem 61: 7503-7524 (2018)

More data for this
Ligand-Target Pair
Vasopressin V1b receptor


(Homo sapiens (Human))
BDBM50466872
PNG
(CHEMBL4281098)
Show SMILES CCOc1nc(Cl)ccc1C1(N2CCN(CC2)c2ccnc(C)c2)C(=O)N(c2ccc(cc12)C#N)S(=O)(=O)c1ccc(OC)cn1
Show InChI InChI=1S/C32H30ClN7O5S/c1-4-45-30-25(7-9-28(33)37-30)32(39-15-13-38(14-16-39)23-11-12-35-21(2)17-23)26-18-22(19-34)5-8-27(26)40(31(32)41)46(42,43)29-10-6-24(44-3)20-36-29/h5-12,17-18,20H,4,13-16H2,1-3H3
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0.900n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

Curated by ChEMBL


Assay Description
Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cell membranes after 60 mins by TopCount microplate scintillation counti...


Bioorg Med Chem Lett 28: 3260-3264 (2018)

More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM202245
PNG
(US9238619, 8)
Show SMILES Cn1cc(cn1)S(=O)(=O)NCCOc1cccc(c1)C(CN)Cc1ccc(Cl)cc1
Show InChI InChI=1/C21H25ClN4O3S/c1-26-15-21(14-24-26)30(27,28)25-9-10-29-20-4-2-3-17(12-20)18(13-23)11-16-5-7-19(22)8-6-16/h2-8,12,14-15,18,25H,9-11,13,23H2,1H3
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<1n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM202360
PNG
(US9238619, 77)
Show SMILES CC(C)N1CCC(Cc2ccccc2)(C1)c1cccc(OCCNS(=O)(=O)c2cn(C)cn2)c1
Show InChI InChI=1/C26H34N4O3S/c1-21(2)30-14-12-26(19-30,17-22-8-5-4-6-9-22)23-10-7-11-24(16-23)33-15-13-28-34(31,32)25-18-29(3)20-27-25/h4-11,16,18,20-21,28H,12-15,17,19H2,1-3H3
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<1n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM202357
PNG
(US9238619, 74)
Show SMILES CN(CCOc1cccc(c1)C1(Cc2ccccc2)CCN(C)C1)S(=O)(=O)c1cn(C)cn1
Show InChI InChI=1/C25H32N4O3S/c1-27-13-12-25(19-27,17-21-8-5-4-6-9-21)22-10-7-11-23(16-22)32-15-14-29(3)33(30,31)24-18-28(2)20-26-24/h4-11,16,18,20H,12-15,17,19H2,1-3H3
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<1n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM202352
PNG
(US9238619, 71)
Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1cccc(c1)C1(Cc2ccccc2)CCN(C1)C(=O)C(F)F
Show InChI InChI=1/C25H28F2N4O4S/c1-30-16-22(28-18-30)36(33,34)29-11-13-35-21-9-5-8-20(14-21)25(15-19-6-3-2-4-7-19)10-12-31(17-25)24(32)23(26)27/h2-9,14,16,18,23,29H,10-13,15,17H2,1H3
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<1n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM202350
PNG
(US9238619, 69)
Show SMILES CN1CCC(Cc2ccccc2)(C1)c1cccc(CNS(=O)(=O)c2cnn(C)c2)c1
Show InChI InChI=1/C23H28N4O2S/c1-26-12-11-23(18-26,14-19-7-4-3-5-8-19)21-10-6-9-20(13-21)15-25-30(28,29)22-16-24-27(2)17-22/h3-10,13,16-17,25H,11-12,14-15,18H2,1-2H3
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<1n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM202349
PNG
(US9238619, 68)
Show SMILES O=S(=O)(CC1CC1)NCc1cccc(c1)C1(Cc2ccccc2)CCNC1
Show InChI InChI=1/C22H28N2O2S/c25-27(26,16-19-9-10-19)24-15-20-7-4-8-21(13-20)22(11-12-23-17-22)14-18-5-2-1-3-6-18/h1-8,13,19,23-24H,9-12,14-17H2
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<1n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM202333
PNG
(US9238619, 58)
Show SMILES Cn1cc(cn1)S(=O)(=O)NCCOc1cccc(c1)C1(Cc2ccccc2)CNC(=O)C1
Show InChI InChI=1/C23H26N4O4S/c1-27-16-21(15-25-27)32(29,30)26-10-11-31-20-9-5-8-19(12-20)23(14-22(28)24-17-23)13-18-6-3-2-4-7-18/h2-9,12,15-16,26H,10-11,13-14,17H2,1H3,(H,24,28)
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<1n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM202328
PNG
(US9238619, 56)
Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1cccc(c1)C1(Cc2ccccc2)CNC(=O)C1
Show InChI InChI=1/C23H26N4O4S/c1-27-15-22(25-17-27)32(29,30)26-10-11-31-20-9-5-8-19(12-20)23(14-21(28)24-16-23)13-18-6-3-2-4-7-18/h2-9,12,15,17,26H,10-11,13-14,16H2,1H3,(H,24,28)
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<1n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM202327
PNG
(US9238619, 55)
Show SMILES Cn1cnc(c1)S(=O)(=O)NCCOc1cccc(c1)C1(Cc2ccccc2)CN(CC(F)F)C1
Show InChI InChI=1S/C24H28F2N4O3S/c1-29-15-23(27-18-29)34(31,32)28-10-11-33-21-9-5-8-20(12-21)24(13-19-6-3-2-4-7-19)16-30(17-24)14-22(25)26/h2-9,12,15,18,22,28H,10-11,13-14,16-17H2,1H3
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<1n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
Radioligand binding to human GlyT1c transporter-expressing membranes was determined as described in Mezler et al., Molecular Pharmacology 74:1705-171...


US Patent US9238619 (2016)


BindingDB Entry DOI: 10.7270/Q2XS5T6F
More data for this
Ligand-Target Pair
h-v1b


(Homo sapiens (Human))
BDBM316345
PNG
( cis-N-tert-Butyl-2-[2-(3-chlorophenyl)-4-oxo-6-[3...)
Show SMILES CC(C)(C)NC(=O)Cn1c(nc2ccc(cc2c1=O)[C@@H]1C[C@H](CN2CCCCC2)C1)-c1cccc(Cl)c1
Show InChI InChI=1/C30H37ClN4O2/c1-30(2,3)33-27(36)19-35-28(22-8-7-9-24(31)16-22)32-26-11-10-21(17-25(26)29(35)37)23-14-20(15-23)18-34-12-5-4-6-13-34/h7-11,16-17,20,23H,4-6,12-15,18-19H2,1-3H3,(H,33,36)/t20-,23+
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<1n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)).The incub...


US Patent US9617226 (2017)


Article DOI: 10.1016/j.bmcl.2008.11.034
BindingDB Entry DOI: 10.7270/Q2639RTS
More data for this
Ligand-Target Pair
h-v1b


(Homo sapiens (Human))
BDBM316365
PNG
(US9617226, Example 46 | cis-2-[2-(3-Chlorophenyl)-...)
Show SMILES C[C@@H](NC(=O)Cn1c(nc2ccc(cc2c1=O)[C@@H]1C[C@H](CN2CCCCC2)C1)-c1cccc(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C29H32ClF3N4O2/c1-18(29(31,32)33)34-26(38)17-37-27(21-6-5-7-23(30)14-21)35-25-9-8-20(15-24(25)28(37)39)22-12-19(13-22)16-36-10-3-2-4-11-36/h5-9,14-15,18-19,22H,2-4,10-13,16-17H2,1H3,(H,34,38)/t18-,19-,22+/m1/s1
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1n/an/an/an/an/an/an/an/a



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)).The incub...


US Patent US9617226 (2017)


Article DOI: 10.1016/j.bmcl.2008.11.034
BindingDB Entry DOI: 10.7270/Q2639RTS
More data for this
Ligand-Target Pair
Vasopressin V1b receptor (V1b)


(Homo sapiens (Human))
BDBM175037
PNG
(US9688678, 9A (+)-3-(2-ethoxy-3-pyridyl)-1-[(5-met...)
Show SMILES COc1ccc(nc1)S(=O)(=O)N1C2C=CC(=CC2C(N2CC3(CN(C3)C3CCN(C)CC3)C2)(C1=O)c1cccnc1OC)C#N
Show InChI InChI=1/C32H37N7O5S/c1-36-13-10-23(11-14-36)37-18-31(19-37)20-38(21-31)32(25-5-4-12-34-29(25)44-3)26-15-22(16-33)6-8-27(26)39(30(32)40)45(41,42)28-9-7-24(43-2)17-35-28/h4-9,12,15,17,23,26-27H,10-11,13-14,18-21H2,1-3H3
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<1<-12.3n/an/an/an/an/a7.425



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)). The incu...


US Patent US9688678 (2017)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2SN0740
More data for this
Ligand-Target Pair
Vasopressin V1b receptor (V1b)


(Homo sapiens (Human))
BDBM175039
PNG
(US9688678, 11 (+)-3-(2-ethoxy-5-methoxyphenyl)-1-(...)
Show SMILES CCOc1ccc(OC)c(c1)C1(C2C=C(C=CC2N(C1=O)S(=O)(=O)c1ccc(OC)cn1)C#N)N1CC2(CN(C2)C2CCN(CC2)C2COC2)C1
Show InChI InChI=1/C37H44N6O7S/c1-4-50-28-6-9-33(48-3)31(16-28)37(42-23-36(24-42)21-41(22-36)26-11-13-40(14-12-26)27-19-49-20-27)30-15-25(17-38)5-8-32(30)43(35(37)44)51(45,46)34-10-7-29(47-2)18-39-34/h5-10,15-16,18,26-27,30,32H,4,11-14,19-24H2,1-3H3
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<1<-12.3n/an/an/an/an/a7.425



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)). The incu...


US Patent US9688678 (2017)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2SN0740
More data for this
Ligand-Target Pair
Vasopressin V1b receptor (V1b)


(Homo sapiens (Human))
BDBM175054
PNG
(US9688678, 17 (+-)-3-(2-ethoxy-5-methoxy-phenyl)-1...)
Show SMILES CCOc1ccc(OC)cc1C1(C2C=C(C=CC2N(C1=O)S(=O)(=O)c1ccc(OC)cn1)C#N)N1CC2(CN(C2)N2CCN(C)CC2)C1
Show InChI InChI=1/C34H41N7O6S/c1-5-47-30-10-7-25(45-3)17-28(30)34(38-20-33(21-38)22-40(23-33)39-14-12-37(2)13-15-39)27-16-24(18-35)6-9-29(27)41(32(34)42)48(43,44)31-11-8-26(46-4)19-36-31/h6-11,16-17,19,27,29H,5,12-15,20-23H2,1-4H3
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<1<-12.3n/an/an/an/an/a7.425



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)). The incu...


US Patent US9688678 (2017)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2SN0740
More data for this
Ligand-Target Pair
Vasopressin V1b receptor (V1b)


(Homo sapiens (Human))
BDBM175055
PNG
(US9688678, 17B (+)-3-(2-ethoxy-5-methoxy-phenyl)-1...)
Show SMILES CCOc1ccc(OC)cc1C1(C2C=C(C=CC2N(C1=O)S(=O)(=O)c1ccc(OC)cn1)C#N)N1CC2(CN(C2)N2CCN(C)CC2)C1
Show InChI InChI=1/C34H41N7O6S/c1-5-47-30-10-7-25(45-3)17-28(30)34(38-20-33(21-38)22-40(23-33)39-14-12-37(2)13-15-39)27-16-24(18-35)6-9-29(27)41(32(34)42)48(43,44)31-11-8-26(46-4)19-36-31/h6-11,16-17,19,27,29H,5,12-15,20-23H2,1-4H3
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<1<-12.3n/an/an/an/an/a7.425



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)). The incu...


US Patent US9688678 (2017)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2SN0740
More data for this
Ligand-Target Pair
Vasopressin V1b receptor (V1b)


(Homo sapiens (Human))
BDBM175056
PNG
(US9688678, 18 (+-)3-(2-methoxyphenyl)-1-[(5-methox...)
Show SMILES COc1ccc(nc1)S(=O)(=O)N1C2C=CC(=CC2C(N2CC3(CN(C3)C3CCN(C)CC3)C2)(C1=O)c1ccccc1OC)C#N
Show InChI InChI=1/C33H38N6O5S/c1-36-14-12-24(13-15-36)37-19-32(20-37)21-38(22-32)33(26-6-4-5-7-29(26)44-3)27-16-23(17-34)8-10-28(27)39(31(33)40)45(41,42)30-11-9-25(43-2)18-35-30/h4-11,16,18,24,27-28H,12-15,19-22H2,1-3H3
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<1<-12.3n/an/an/an/an/a7.425



AbbVie Deutschland GmbH & Co. KG

US Patent


Assay Description
The binding assay was carried out by the method based on that of Tahara et al. (Tahara A et al., Brit. J. Pharmacol. 125, 1463-1470 (1998)). The incu...


US Patent US9688678 (2017)


Article DOI: 10.1021/jm9606608
BindingDB Entry DOI: 10.7270/Q2SN0740
More data for this
Ligand-Target Pair
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