Found 448 hits with Last Name = 'kowalczyk' and Initial = 'p' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Sodium- and chloride-dependent GABA transporter 1
(Rattus norvegicus) | BDBM50039251
((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...)Show SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6] |r| Show InChI InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1 | PDB
Reactome pathway
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PC sid
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| PDB
Article
PubMed
| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Binding affinity to mouse GAT1 stably transfected in HEK293 cells by NO-711 binding assay |
Bioorg Med Chem 21: 5154-67 (2013)
Article DOI: 10.1016/j.bmc.2013.06.038
BindingDB Entry DOI: 10.7270/Q208688J |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Androgen receptor
(Rattus norvegicus (Rat)) | BDBM18525
(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)Show SMILES CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F Show InChI InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| Purchase
CHEMBL
DrugBank
MCE
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PC cid
PC sid
PDB
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| PDB
PubMed
| 330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Pharmaceuticals Research Division
Curated by ChEMBL
| Assay Description
In vivo binding affinity for rat ventral prostate androgen receptor by displacement of [3H]R-1881 |
J Med Chem 35: 1663-70 (1992)
BindingDB Entry DOI: 10.7270/Q2JH3MSN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Androgen receptor
(Rattus norvegicus (Rat)) | BDBM50006106
((1R,5aS,10aS,12aS)-1-Ethynyl-8-methanesulfonyl-10a...)Show SMILES C[C@]12CCC3C(CC[C@H]4Cc5oc(cc5C[C@]34C)S(C)(=O)=O)C1CC[C@@]2(O)C#C Show InChI InChI=1S/C24H32O4S/c1-5-24(25)11-9-19-17-7-6-16-13-20-15(12-21(28-20)29(4,26)27)14-22(16,2)18(17)8-10-23(19,24)3/h1,12,16-19,25H,6-11,13-14H2,2-4H3/t16-,17?,18?,19?,22-,23-,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Pharmaceuticals Research Division
Curated by ChEMBL
| Assay Description
In vivo binding affinity for rat ventral prostate androgen receptor by displacement of [3H]R-1881 |
J Med Chem 35: 1663-70 (1992)
BindingDB Entry DOI: 10.7270/Q2JH3MSN |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Rattus norvegicus (Rat)) | BDBM50006102
(1-Ethynyl-8-methanesulfonyl-10a,12a-dimethyl-2,3,3...)Show SMILES C[C@]12CCC3C(CC[C@H]4Cc5nc(sc5C[C@]34C)S(C)(=O)=O)C1CC[C@@]2(O)C#C Show InChI InChI=1S/C23H31NO3S2/c1-5-23(25)11-9-17-15-7-6-14-12-18-19(28-20(24-18)29(4,26)27)13-21(14,2)16(15)8-10-22(17,23)3/h1,14-17,25H,6-13H2,2-4H3/t14-,15?,16?,17?,21-,22-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Pharmaceuticals Research Division
Curated by ChEMBL
| Assay Description
In vivo binding affinity for rat ventral prostate androgen receptor by displacement of [3H]R-1881 |
J Med Chem 35: 1663-70 (1992)
BindingDB Entry DOI: 10.7270/Q2JH3MSN |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Rattus norvegicus (Rat)) | BDBM50006104
(1-Ethynyl-8-methanesulfonyl-10a,12a-dimethyl-2,3,3...)Show SMILES C[C@]12CCC3C(CC[C@H]4Cc5oc(nc5C[C@]34C)S(C)(=O)=O)C1CC[C@@]2(O)C#C Show InChI InChI=1S/C23H31NO4S/c1-5-23(25)11-9-17-15-7-6-14-12-19-18(24-20(28-19)29(4,26)27)13-21(14,2)16(15)8-10-22(17,23)3/h1,14-17,25H,6-13H2,2-4H3/t14-,15?,16?,17?,21-,22-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 1.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Pharmaceuticals Research Division
Curated by ChEMBL
| Assay Description
In vivo binding affinity for rat ventral prostate androgen receptor by displacement of [3H]R-1881 |
J Med Chem 35: 1663-70 (1992)
BindingDB Entry DOI: 10.7270/Q2JH3MSN |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Rattus norvegicus (Rat)) | BDBM50368314
(ZANOTERONE)Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4Cc5nn(cc5C[C@]34C)S(C)(=O)=O)[C@@H]1CC[C@@]2(O)C#C Show InChI InChI=1S/C23H32N2O3S/c1-5-23(26)11-9-19-17-7-6-16-12-20-15(14-25(24-20)29(4,27)28)13-21(16,2)18(17)8-10-22(19,23)3/h1,14,16-19,26H,6-13H2,2-4H3/t16-,17+,18-,19-,21-,22-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Pharmaceuticals Research Division
Curated by ChEMBL
| Assay Description
In vivo binding affinity for rat ventral prostate androgen receptor by displacement of [3H]R-1881 |
J Med Chem 35: 1663-70 (1992)
BindingDB Entry DOI: 10.7270/Q2JH3MSN |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Rattus norvegicus (Rat)) | BDBM35909
(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)Show SMILES CC(C)(O)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17) | PDB
MMDB
Reactome pathway
KEGG
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KEGG
MMDB
PC cid
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| MMDB
PDB
PubMed
| 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Pharmaceuticals Research Division
Curated by ChEMBL
| Assay Description
In vivo binding affinity for rat ventral prostate androgen receptor by displacement of [3H]R-1881 |
J Med Chem 35: 1663-70 (1992)
BindingDB Entry DOI: 10.7270/Q2JH3MSN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Androgen receptor
(Rattus norvegicus (Rat)) | BDBM50006105
(1-Ethynyl-8-methanesulfonyl-11a,13a-dimethyl-2,3,3...)Show SMILES C[C@]12CCC3C(CC[C@H]4Cc5nc(ncc5C[C@]34C)S(C)(=O)=O)C1CC[C@@]2(O)C#C Show InChI InChI=1S/C24H32N2O3S/c1-5-24(27)11-9-19-17-7-6-16-12-20-15(14-25-21(26-20)30(4,28)29)13-22(16,2)18(17)8-10-23(19,24)3/h1,14,16-19,27H,6-13H2,2-4H3/t16-,17?,18?,19?,22-,23-,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Pharmaceuticals Research Division
Curated by ChEMBL
| Assay Description
In vivo binding affinity for rat ventral prostate androgen receptor by displacement of [3H]R-1881 |
J Med Chem 35: 1663-70 (1992)
BindingDB Entry DOI: 10.7270/Q2JH3MSN |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Rattus norvegicus) | BDBM50492908
(CHEMBL2414190)Show SMILES [#8]-[#6]-[#6]-[#6](-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccccc1 Show InChI InChI=1S/C29H32N2O2/c32-21-18-27(29(33)30-22-23-10-4-1-5-11-23)31-19-16-26(17-20-31)28(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,27,32H,16-22H2,(H,30,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 9.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Binding affinity to mouse GAT1 stably transfected in HEK293 cells by NO-711 binding assay |
Bioorg Med Chem 21: 5154-67 (2013)
Article DOI: 10.1016/j.bmc.2013.06.038
BindingDB Entry DOI: 10.7270/Q208688J |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Rattus norvegicus) | BDBM50021363
(CHEMBL3289578)Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(-[#6])cc1 Show InChI InChI=1S/C29H35N3O/c1-23-15-17-24(18-16-23)22-31-29(33)28(19-20-30)32(2)21-9-14-27(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-8,10-18,28H,9,19-22,30H2,1-2H3,(H,31,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis |
Eur J Med Chem 83: 256-73 (2014)
Article DOI: 10.1016/j.ejmech.2014.06.024
BindingDB Entry DOI: 10.7270/Q21N82P9 |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Rattus norvegicus) | BDBM50021382
(CHEMBL3289580)Show SMILES [#7]-[#6]-[#6]-[#6](-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](/c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccccc1Cl Show InChI InChI=1S/C29H32ClN3O/c30-26-14-8-7-13-25(26)21-32-29(34)27(15-18-31)33-19-16-24(17-20-33)28(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-14,27H,15-21,31H2,(H,32,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis |
Eur J Med Chem 83: 256-73 (2014)
Article DOI: 10.1016/j.ejmech.2014.06.024
BindingDB Entry DOI: 10.7270/Q21N82P9 |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Rattus norvegicus) | BDBM50021375
(CHEMBL3289568)Show SMILES [#6]-c1ccc(-[#6]-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#7])-[#7]-[#6]-[#6]\[#6]=[#6](/c2ccccc2)-c2ccccc2)cc1 Show InChI InChI=1S/C28H33N3O/c1-22-14-16-23(17-15-22)21-31-28(32)27(18-19-29)30-20-8-13-26(24-9-4-2-5-10-24)25-11-6-3-7-12-25/h2-7,9-17,27,30H,8,18-21,29H2,1H3,(H,31,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis |
Eur J Med Chem 83: 256-73 (2014)
Article DOI: 10.1016/j.ejmech.2014.06.024
BindingDB Entry DOI: 10.7270/Q21N82P9 |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Rattus norvegicus) | BDBM50021360
(CHEMBL3289575)Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccccc1Cl Show InChI InChI=1S/C28H32ClN3O/c1-32(27(18-19-30)28(33)31-21-24-15-8-9-17-26(24)29)20-10-16-25(22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-9,11-17,27H,10,18-21,30H2,1H3,(H,31,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis |
Eur J Med Chem 83: 256-73 (2014)
Article DOI: 10.1016/j.ejmech.2014.06.024
BindingDB Entry DOI: 10.7270/Q21N82P9 |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Rattus norvegicus) | BDBM50021361
(CHEMBL3289576)Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H32ClN3O/c1-32(27(18-19-30)28(33)31-21-22-14-16-25(29)17-15-22)20-8-13-26(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-7,9-17,27H,8,18-21,30H2,1H3,(H,31,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.12E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis |
Eur J Med Chem 83: 256-73 (2014)
Article DOI: 10.1016/j.ejmech.2014.06.024
BindingDB Entry DOI: 10.7270/Q21N82P9 |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Rattus norvegicus) | BDBM50492912
(CHEMBL2414193)Show SMILES [#8]-[#6]-[#6]-[#6](-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(F)cc1 Show InChI InChI=1S/C29H31FN2O2/c30-26-13-11-22(12-14-26)21-31-29(34)27(17-20-33)32-18-15-25(16-19-32)28(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,27,33H,15-21H2,(H,31,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.15E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Binding affinity to mouse GAT1 stably transfected in HEK293 cells by NO-711 binding assay |
Bioorg Med Chem 21: 5154-67 (2013)
Article DOI: 10.1016/j.bmc.2013.06.038
BindingDB Entry DOI: 10.7270/Q208688J |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Rattus norvegicus) | BDBM50021381
(CHEMBL3289574)Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccccc1 Show InChI InChI=1S/C28H33N3O/c1-31(27(19-20-29)28(32)30-22-23-12-5-2-6-13-23)21-11-18-26(24-14-7-3-8-15-24)25-16-9-4-10-17-25/h2-10,12-18,27H,11,19-22,29H2,1H3,(H,30,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis |
Eur J Med Chem 83: 256-73 (2014)
Article DOI: 10.1016/j.ejmech.2014.06.024
BindingDB Entry DOI: 10.7270/Q21N82P9 |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Rattus norvegicus) | BDBM50021380
(CHEMBL3289573)Show SMILES CN(CCCC(c1ccccc1)c1ccccc1)C(CCN)C(=O)NCc1ccc(C)cc1 Show InChI InChI=1S/C29H37N3O/c1-23-15-17-24(18-16-23)22-31-29(33)28(19-20-30)32(2)21-9-14-27(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-8,10-13,15-18,27-28H,9,14,19-22,30H2,1-2H3,(H,31,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.55E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis |
Eur J Med Chem 83: 256-73 (2014)
Article DOI: 10.1016/j.ejmech.2014.06.024
BindingDB Entry DOI: 10.7270/Q21N82P9 |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Rattus norvegicus) | BDBM50021362
(CHEMBL3289577)Show SMILES [#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-[#6](-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(F)cc1 Show InChI InChI=1S/C28H32FN3O/c1-32(27(18-19-30)28(33)31-21-22-14-16-25(29)17-15-22)20-8-13-26(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-7,9-17,27H,8,18-21,30H2,1H3,(H,31,33) | PDB
Reactome pathway
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UniProtKB/SwissProt
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UniChem
Similars
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PubMed
| 1.58E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis |
Eur J Med Chem 83: 256-73 (2014)
Article DOI: 10.1016/j.ejmech.2014.06.024
BindingDB Entry DOI: 10.7270/Q21N82P9 |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Rattus norvegicus) | BDBM50021373
(CHEMBL3289566)Show SMILES [#7]-[#6]-[#6]-[#6](-[#7]-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H30ClN3O/c28-24-15-13-21(14-16-24)20-31-27(32)26(17-18-29)30-19-7-12-25(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-6,8-16,26,30H,7,17-20,29H2,(H,31,32) | PDB
Reactome pathway
KEGG
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UniChem
Similars
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PubMed
| 1.62E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis |
Eur J Med Chem 83: 256-73 (2014)
Article DOI: 10.1016/j.ejmech.2014.06.024
BindingDB Entry DOI: 10.7270/Q21N82P9 |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Rattus norvegicus) | BDBM50021364
(CHEMBL3289579)Show SMILES [#7]-[#6]-[#6]-[#6](-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](/c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccccc1 Show InChI InChI=1S/C29H33N3O/c30-19-16-27(29(33)31-22-23-10-4-1-5-11-23)32-20-17-26(18-21-32)28(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,27H,16-22,30H2,(H,31,33) | PDB
Reactome pathway
KEGG
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UniChem
Similars
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PubMed
| 1.66E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis |
Eur J Med Chem 83: 256-73 (2014)
Article DOI: 10.1016/j.ejmech.2014.06.024
BindingDB Entry DOI: 10.7270/Q21N82P9 |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Rattus norvegicus) | BDBM50021390
(CHEMBL3289588)Show SMILES Cc1ccc(CNC(=O)C(CCN)N2CCC(CC2)C(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C30H37N3O/c1-23-12-14-24(15-13-23)22-32-30(34)28(16-19-31)33-20-17-27(18-21-33)29(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-15,27-29H,16-22,31H2,1H3,(H,32,34) | PDB
Reactome pathway
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PubMed
| 1.66E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis |
Eur J Med Chem 83: 256-73 (2014)
Article DOI: 10.1016/j.ejmech.2014.06.024
BindingDB Entry DOI: 10.7270/Q21N82P9 |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Rattus norvegicus) | BDBM50021371
(CHEMBL3289295)Show SMILES [#7]-[#6]-[#6]-[#6](-[#7]-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccccc1 Show InChI InChI=1S/C27H31N3O/c28-19-18-26(27(31)30-21-22-11-4-1-5-12-22)29-20-10-17-25(23-13-6-2-7-14-23)24-15-8-3-9-16-24/h1-9,11-17,26,29H,10,18-21,28H2,(H,30,31) | PDB
Reactome pathway
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PubMed
| 1.74E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis |
Eur J Med Chem 83: 256-73 (2014)
Article DOI: 10.1016/j.ejmech.2014.06.024
BindingDB Entry DOI: 10.7270/Q21N82P9 |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Rattus norvegicus) | BDBM50021378
(CHEMBL3289571)Show SMILES CN(CCCC(c1ccccc1)c1ccccc1)C(CCN)C(=O)NCc1ccc(Cl)cc1 Show InChI InChI=1S/C28H34ClN3O/c1-32(27(18-19-30)28(33)31-21-22-14-16-25(29)17-15-22)20-8-13-26(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-7,9-12,14-17,26-27H,8,13,18-21,30H2,1H3,(H,31,33) | PDB
Reactome pathway
KEGG
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PubMed
| 1.78E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis |
Eur J Med Chem 83: 256-73 (2014)
Article DOI: 10.1016/j.ejmech.2014.06.024
BindingDB Entry DOI: 10.7270/Q21N82P9 |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Rattus norvegicus) | BDBM50021379
(CHEMBL3289572)Show SMILES CN(CCCC(c1ccccc1)c1ccccc1)C(CCN)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C28H34FN3O/c1-32(27(18-19-30)28(33)31-21-22-14-16-25(29)17-15-22)20-8-13-26(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-7,9-12,14-17,26-27H,8,13,18-21,30H2,1H3,(H,31,33) | PDB
Reactome pathway
KEGG
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UniChem
Similars
| Article
PubMed
| 2.14E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis |
Eur J Med Chem 83: 256-73 (2014)
Article DOI: 10.1016/j.ejmech.2014.06.024
BindingDB Entry DOI: 10.7270/Q21N82P9 |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Rattus norvegicus) | BDBM50021377
(CHEMBL3289570)Show SMILES CN(CCCC(c1ccccc1)c1ccccc1)C(CCN)C(=O)NCc1ccccc1Cl Show InChI InChI=1S/C28H34ClN3O/c1-32(27(18-19-30)28(33)31-21-24-15-8-9-17-26(24)29)20-10-16-25(22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-9,11-15,17,25,27H,10,16,18-21,30H2,1H3,(H,31,33) | PDB
Reactome pathway
KEGG
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| Article
PubMed
| 2.14E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis |
Eur J Med Chem 83: 256-73 (2014)
Article DOI: 10.1016/j.ejmech.2014.06.024
BindingDB Entry DOI: 10.7270/Q21N82P9 |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Rattus norvegicus) | BDBM50021374
(CHEMBL3289567)Show SMILES [#7]-[#6]-[#6]-[#6](-[#7]-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(F)cc1 Show InChI InChI=1S/C27H30FN3O/c28-24-15-13-21(14-16-24)20-31-27(32)26(17-18-29)30-19-7-12-25(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-6,8-16,26,30H,7,17-20,29H2,(H,31,32) | PDB
Reactome pathway
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PubMed
| 2.29E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis |
Eur J Med Chem 83: 256-73 (2014)
Article DOI: 10.1016/j.ejmech.2014.06.024
BindingDB Entry DOI: 10.7270/Q21N82P9 |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Rattus norvegicus) | BDBM50021383
(CHEMBL3289581)Show SMILES [#7]-[#6]-[#6]-[#6](-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](/c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(Cl)cc1 Show InChI InChI=1S/C29H32ClN3O/c30-26-13-11-22(12-14-26)21-32-29(34)27(15-18-31)33-19-16-25(17-20-33)28(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,27H,15-21,31H2,(H,32,34) | PDB
Reactome pathway
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| 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis |
Eur J Med Chem 83: 256-73 (2014)
Article DOI: 10.1016/j.ejmech.2014.06.024
BindingDB Entry DOI: 10.7270/Q21N82P9 |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Rattus norvegicus) | BDBM50021384
(CHEMBL3289582)Show SMILES [#7]-[#6]-[#6]-[#6](-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](/c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(F)cc1 Show InChI InChI=1S/C29H32FN3O/c30-26-13-11-22(12-14-26)21-32-29(34)27(15-18-31)33-19-16-25(17-20-33)28(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,27H,15-21,31H2,(H,32,34) | PDB
Reactome pathway
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PubMed
| 2.51E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis |
Eur J Med Chem 83: 256-73 (2014)
Article DOI: 10.1016/j.ejmech.2014.06.024
BindingDB Entry DOI: 10.7270/Q21N82P9 |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Rattus norvegicus) | BDBM50021387
(CHEMBL3289585)Show SMILES NCCC(N1CCC(CC1)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1Cl Show InChI InChI=1S/C29H34ClN3O/c30-26-14-8-7-13-25(26)21-32-29(34)27(15-18-31)33-19-16-24(17-20-33)28(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-14,24,27-28H,15-21,31H2,(H,32,34) | PDB
Reactome pathway
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PubMed
| 2.57E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis |
Eur J Med Chem 83: 256-73 (2014)
Article DOI: 10.1016/j.ejmech.2014.06.024
BindingDB Entry DOI: 10.7270/Q21N82P9 |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Rattus norvegicus) | BDBM50039246
((S)-1-(2-(tris(4-methoxyphenyl)methoxy)ethyl)piper...)Show SMILES COc1ccc(cc1)C(OCCN1CCC[C@@H](C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C30H35NO6/c1-34-26-12-6-23(7-13-26)30(24-8-14-27(35-2)15-9-24,25-10-16-28(36-3)17-11-25)37-20-19-31-18-4-5-22(21-31)29(32)33/h6-17,22H,4-5,18-21H2,1-3H3,(H,32,33)/t22-/m0/s1 | PDB
Reactome pathway
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PubMed
| 2.75E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Binding affinity to mouse GAT1 stably transfected in HEK293 cells by NO-711 binding assay |
Bioorg Med Chem 21: 5154-67 (2013)
Article DOI: 10.1016/j.bmc.2013.06.038
BindingDB Entry DOI: 10.7270/Q208688J |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Rattus norvegicus) | BDBM50039246
((S)-1-(2-(tris(4-methoxyphenyl)methoxy)ethyl)piper...)Show SMILES COc1ccc(cc1)C(OCCN1CCC[C@@H](C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C30H35NO6/c1-34-26-12-6-23(7-13-26)30(24-8-14-27(35-2)15-9-24,25-10-16-28(36-3)17-11-25)37-20-19-31-18-4-5-22(21-31)29(32)33/h6-17,22H,4-5,18-21H2,1-3H3,(H,32,33)/t22-/m0/s1 | PDB
Reactome pathway
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| 2.75E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis |
Eur J Med Chem 83: 256-73 (2014)
Article DOI: 10.1016/j.ejmech.2014.06.024
BindingDB Entry DOI: 10.7270/Q21N82P9 |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Rattus norvegicus (Rat)) | BDBM50006103
(1-Ethynyl-8-methanesulfonyl-10a,12a-dimethyl-2,3,3...)Show SMILES C[C@]12CCC3C(CC[C@H]4Cc5sc(cc5C[C@]34C)S(C)(=O)=O)C1CC[C@@]2(O)C#C Show InChI InChI=1S/C24H32O3S2/c1-5-24(25)11-9-19-17-7-6-16-13-20-15(12-21(28-20)29(4,26)27)14-22(16,2)18(17)8-10-23(19,24)3/h1,12,16-19,25H,6-11,13-14H2,2-4H3/t16-,17?,18?,19?,22-,23-,24-/m0/s1 | PDB
MMDB
Reactome pathway
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UniChem
| PubMed
| >2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Pharmaceuticals Research Division
Curated by ChEMBL
| Assay Description
In vivo binding affinity for rat ventral prostate androgen receptor by displacement of [3H]R-1881 |
J Med Chem 35: 1663-70 (1992)
BindingDB Entry DOI: 10.7270/Q2JH3MSN |
More data for this
Ligand-Target Pair | |
Androgen receptor
(Rattus norvegicus (Rat)) | BDBM50006108
(1-Ethynyl-8-methanesulfonyl-10a,12a-dimethyl-2,3,3...)Show SMILES C[C@]12CCC3C(CC[C@H]4Cc5cc(oc5C[C@]34C)S(C)(=O)=O)C1CC[C@@]2(O)C#C Show InChI InChI=1S/C24H32O4S/c1-5-24(25)11-9-19-17-7-6-16-12-15-13-21(29(4,26)27)28-20(15)14-22(16,2)18(17)8-10-23(19,24)3/h1,13,16-19,25H,6-12,14H2,2-4H3/t16-,17?,18?,19?,22-,23-,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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Similars
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| >2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sterling Winthrop Pharmaceuticals Research Division
Curated by ChEMBL
| Assay Description
In vivo binding affinity for rat ventral prostate androgen receptor by displacement of [3H]R-1881 |
J Med Chem 35: 1663-70 (1992)
BindingDB Entry DOI: 10.7270/Q2JH3MSN |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Rattus norvegicus) | BDBM50021385
(CHEMBL3289583)Show SMILES [#6]-c1ccc(-[#6]-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#7])-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6](/c2ccccc2)-c2ccccc2)cc1 Show InChI InChI=1S/C30H35N3O/c1-23-12-14-24(15-13-23)22-32-30(34)28(16-19-31)33-20-17-27(18-21-33)29(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-15,28H,16-22,31H2,1H3,(H,32,34) | PDB
Reactome pathway
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PubMed
| 2.95E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis |
Eur J Med Chem 83: 256-73 (2014)
Article DOI: 10.1016/j.ejmech.2014.06.024
BindingDB Entry DOI: 10.7270/Q21N82P9 |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Rattus norvegicus) | BDBM50021388
(CHEMBL3289586)Show SMILES NCCC(N1CCC(CC1)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(Cl)cc1 Show InChI InChI=1S/C29H34ClN3O/c30-26-13-11-22(12-14-26)21-32-29(34)27(15-18-31)33-19-16-25(17-20-33)28(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,25,27-28H,15-21,31H2,(H,32,34) | PDB
Reactome pathway
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| 3.02E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis |
Eur J Med Chem 83: 256-73 (2014)
Article DOI: 10.1016/j.ejmech.2014.06.024
BindingDB Entry DOI: 10.7270/Q21N82P9 |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Rattus norvegicus) | BDBM50021376
(CHEMBL3289569)Show SMILES CN(CCCC(c1ccccc1)c1ccccc1)C(CCN)C(=O)NCc1ccccc1 Show InChI InChI=1S/C28H35N3O/c1-31(27(19-20-29)28(32)30-22-23-12-5-2-6-13-23)21-11-18-26(24-14-7-3-8-15-24)25-16-9-4-10-17-25/h2-10,12-17,26-27H,11,18-22,29H2,1H3,(H,30,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.09E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis |
Eur J Med Chem 83: 256-73 (2014)
Article DOI: 10.1016/j.ejmech.2014.06.024
BindingDB Entry DOI: 10.7270/Q21N82P9 |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Rattus norvegicus) | BDBM50021386
(CHEMBL3289584)Show SMILES NCCC(N1CCC(CC1)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C29H35N3O/c30-19-16-27(29(33)31-22-23-10-4-1-5-11-23)32-20-17-26(18-21-32)28(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26-28H,16-22,30H2,(H,31,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 3.24E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis |
Eur J Med Chem 83: 256-73 (2014)
Article DOI: 10.1016/j.ejmech.2014.06.024
BindingDB Entry DOI: 10.7270/Q21N82P9 |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Rattus norvegicus) | BDBM50021389
(CHEMBL3289587)Show SMILES NCCC(N1CCC(CC1)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C29H34FN3O/c30-26-13-11-22(12-14-26)21-32-29(34)27(15-18-31)33-19-16-25(17-20-33)28(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,25,27-28H,15-21,31H2,(H,32,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
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PC sid
UniChem
Similars
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PubMed
| 3.39E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis |
Eur J Med Chem 83: 256-73 (2014)
Article DOI: 10.1016/j.ejmech.2014.06.024
BindingDB Entry DOI: 10.7270/Q21N82P9 |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Rattus norvegicus) | BDBM50492911
(CHEMBL2414173)Show SMILES [#6]-[#6@@H](-[#8])-[#6]-[#6@@H](-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(F)cc1 |r| Show InChI InChI=1S/C30H33FN2O2/c1-22(34)20-28(30(35)32-21-23-12-14-27(31)15-13-23)33-18-16-26(17-19-33)29(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-15,22,28,34H,16-21H2,1H3,(H,32,35)/t22-,28-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.27E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Binding affinity to mouse GAT1 stably transfected in HEK293 cells by NO-711 binding assay |
Bioorg Med Chem 21: 5154-67 (2013)
Article DOI: 10.1016/j.bmc.2013.06.038
BindingDB Entry DOI: 10.7270/Q208688J |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Rattus norvegicus) | BDBM50492907
(CHEMBL2414194)Show SMILES [#6]-c1ccc(-[#6]-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#8])-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6](\c2ccccc2)-c2ccccc2)cc1 Show InChI InChI=1S/C30H34N2O2/c1-23-12-14-24(15-13-23)22-31-30(34)28(18-21-33)32-19-16-27(17-20-32)29(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-15,28,33H,16-22H2,1H3,(H,31,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.37E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Binding affinity to mouse GAT1 stably transfected in HEK293 cells by NO-711 binding assay |
Bioorg Med Chem 21: 5154-67 (2013)
Article DOI: 10.1016/j.bmc.2013.06.038
BindingDB Entry DOI: 10.7270/Q208688J |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Rattus norvegicus) | BDBM50492893
(CHEMBL2414186)Show SMILES OCCC(NCCCC(c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1Cl Show InChI InChI=1S/C27H31ClN2O2/c28-25-16-8-7-14-23(25)20-30-27(32)26(17-19-31)29-18-9-15-24(21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-8,10-14,16,24,26,29,31H,9,15,17-20H2,(H,30,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.68E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Binding affinity to mouse GAT1 stably transfected in HEK293 cells by NO-711 binding assay |
Bioorg Med Chem 21: 5154-67 (2013)
Article DOI: 10.1016/j.bmc.2013.06.038
BindingDB Entry DOI: 10.7270/Q208688J |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Rattus norvegicus) | BDBM50492894
(CHEMBL2414189)Show SMILES Cc1ccc(CNC(=O)C(CCO)NCCCC(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C28H34N2O2/c1-22-14-16-23(17-15-22)21-30-28(32)27(18-20-31)29-19-8-13-26(24-9-4-2-5-10-24)25-11-6-3-7-12-25/h2-7,9-12,14-17,26-27,29,31H,8,13,18-21H2,1H3,(H,30,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Binding affinity to mouse GAT1 stably transfected in HEK293 cells by NO-711 binding assay |
Bioorg Med Chem 21: 5154-67 (2013)
Article DOI: 10.1016/j.bmc.2013.06.038
BindingDB Entry DOI: 10.7270/Q208688J |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Rattus norvegicus) | BDBM50492889
(CHEMBL2414187)Show SMILES OCCC(NCCCC(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(Cl)cc1 Show InChI InChI=1S/C27H31ClN2O2/c28-24-15-13-21(14-16-24)20-30-27(32)26(17-19-31)29-18-7-12-25(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-6,8-11,13-16,25-26,29,31H,7,12,17-20H2,(H,30,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.62E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Binding affinity to mouse GAT1 stably transfected in HEK293 cells by NO-711 binding assay |
Bioorg Med Chem 21: 5154-67 (2013)
Article DOI: 10.1016/j.bmc.2013.06.038
BindingDB Entry DOI: 10.7270/Q208688J |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Rattus norvegicus) | BDBM50021370
(CHEMBL3289294)Show SMILES Cc1ccc(CNC(=O)C(CCN)N2CCN(CC2)C(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C29H36N4O/c1-23-12-14-24(15-13-23)22-31-29(34)27(16-17-30)32-18-20-33(21-19-32)28(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-15,27-28H,16-22,30H2,1H3,(H,31,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.31E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis |
Eur J Med Chem 83: 256-73 (2014)
Article DOI: 10.1016/j.ejmech.2014.06.024
BindingDB Entry DOI: 10.7270/Q21N82P9 |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Rattus norvegicus) | BDBM50021369
(CHEMBL3289293)Show SMILES NCCC(N1CCN(CC1)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C28H33FN4O/c29-25-13-11-22(12-14-25)21-31-28(34)26(15-16-30)32-17-19-33(20-18-32)27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,26-27H,15-21,30H2,(H,31,34) | PDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 6.61E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis |
Eur J Med Chem 83: 256-73 (2014)
Article DOI: 10.1016/j.ejmech.2014.06.024
BindingDB Entry DOI: 10.7270/Q21N82P9 |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Rattus norvegicus) | BDBM50492892
(CHEMBL2414192)Show SMILES [#8]-[#6]-[#6]-[#6](-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(Cl)cc1 Show InChI InChI=1S/C29H31ClN2O2/c30-26-13-11-22(12-14-26)21-31-29(34)27(17-20-33)32-18-15-25(16-19-32)28(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,27,33H,15-21H2,(H,31,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7.59E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Binding affinity to mouse GAT1 stably transfected in HEK293 cells by NO-711 binding assay |
Bioorg Med Chem 21: 5154-67 (2013)
Article DOI: 10.1016/j.bmc.2013.06.038
BindingDB Entry DOI: 10.7270/Q208688J |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent GABA transporter 1
(Rattus norvegicus) | BDBM50492895
(CHEMBL2414184)Show SMILES CN(CCCC(c1ccccc1)c1ccccc1)C(CCO)C(=O)NCc1ccc(C)cc1 Show InChI InChI=1S/C29H36N2O2/c1-23-15-17-24(18-16-23)22-30-29(33)28(19-21-32)31(2)20-9-14-27(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-8,10-13,15-18,27-28,32H,9,14,19-22H2,1-2H3,(H,30,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 8.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Binding affinity to mouse GAT1 stably transfected in HEK293 cells by NO-711 binding assay |
Bioorg Med Chem 21: 5154-67 (2013)
Article DOI: 10.1016/j.bmc.2013.06.038
BindingDB Entry DOI: 10.7270/Q208688J |
More data for this
Ligand-Target Pair | |
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3
(Homo sapiens (Human)) | BDBM50508562
(CHEMBL4541928)Show SMILES CN1CCCC(C1)NC(=O)c1ccncc1Nc1cc(-c2ccc3ccn(C)c3c2)c2nccnc2c1 Show InChI InChI=1S/C29H29N7O/c1-35-12-3-4-21(18-35)34-29(37)23-7-9-30-17-26(23)33-22-15-24(28-25(16-22)31-10-11-32-28)20-6-5-19-8-13-36(2)27(19)14-20/h5-11,13-17,21,33H,3-4,12,18H2,1-2H3,(H,34,37) | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged PFKFB3 expressed in Escherichia coli using fructose-6-phosphate as substrate measured after 2 hrs by ADP-G... |
Bioorg Med Chem Lett 29: 646-653 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.034
BindingDB Entry DOI: 10.7270/Q2BP0620 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3
(Homo sapiens (Human)) | BDBM50508559
(CHEMBL4592338)Show SMILES CN1CC[C@H](C1)NC(=O)c1ccncc1Nc1cc(-c2ccc3scc(C)c3c2)c2nccnc2c1 |r| Show InChI InChI=1S/C28H26N6OS/c1-17-16-36-26-4-3-18(11-22(17)26)23-12-20(13-24-27(23)31-9-8-30-24)32-25-14-29-7-5-21(25)28(35)33-19-6-10-34(2)15-19/h3-5,7-9,11-14,16,19,32H,6,10,15H2,1-2H3,(H,33,35)/t19-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged PFKFB3 expressed in Escherichia coli using fructose-6-phosphate as substrate measured after 2 hrs by ADP-G... |
Bioorg Med Chem Lett 29: 646-653 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.034
BindingDB Entry DOI: 10.7270/Q2BP0620 |
More data for this
Ligand-Target Pair | |
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3
(Homo sapiens (Human)) | BDBM50508565
(CHEMBL4439789)Show SMILES CN1CC[C@@H](C1)NC(=O)c1ccncc1Nc1cc(-c2ccc3scc(C)c3c2)c2nccnc2c1 |r| Show InChI InChI=1S/C28H26N6OS/c1-17-16-36-26-4-3-18(11-22(17)26)23-12-20(13-24-27(23)31-9-8-30-24)32-25-14-29-7-5-21(25)28(35)33-19-6-10-34(2)15-19/h3-5,7-9,11-14,16,19,32H,6,10,15H2,1-2H3,(H,33,35)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Selvita S.A.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged PFKFB3 expressed in Escherichia coli using fructose-6-phosphate as substrate measured after 2 hrs by ADP-G... |
Bioorg Med Chem Lett 29: 646-653 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.034
BindingDB Entry DOI: 10.7270/Q2BP0620 |
More data for this
Ligand-Target Pair | |
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