Found 42 hits of Enzyme Inhibition Constant Data 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 glycine transporter 1
(Homo sapiens (Human)) | BDBM50011166
(CHEMBL3259943)Show SMILES COc1cc(cc(c1C(=O)NC1(CCCN(C)C1)c1ccccc1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H22F6N2O2/c1-30-10-6-9-20(13-30,14-7-4-3-5-8-14)29-19(31)18-16(22(26,27)28)11-15(21(23,24)25)12-17(18)32-2/h3-5,7-8,11-12H,6,9-10,13H2,1-2H3,(H,29,31) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of GlyT1 (unknown origin) |
ACS Med Chem Lett 5: 428-33 (2014)
Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50011135
(CHEMBL3259928)Show SMILES COc1cc(cc(SC)c1C(=O)N[C@]1(CCCN(C)C1)c1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C22H25F3N2O2S/c1-27-11-7-10-21(14-27,15-8-5-4-6-9-15)26-20(28)19-17(29-2)12-16(22(23,24)25)13-18(19)30-3/h4-6,8-9,12-13H,7,10-11,14H2,1-3H3,(H,26,28)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
ACS Med Chem Lett 5: 428-33 (2014)
Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50011135
(CHEMBL3259928)Show SMILES COc1cc(cc(SC)c1C(=O)N[C@]1(CCCN(C)C1)c1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C22H25F3N2O2S/c1-27-11-7-10-21(14-27,15-8-5-4-6-9-15)26-20(28)19-17(29-2)12-16(22(23,24)25)13-18(19)30-3/h4-6,8-9,12-13H,7,10-11,14H2,1-3H3,(H,26,28)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
ACS Med Chem Lett 5: 428-33 (2014)
Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50011135
(CHEMBL3259928)Show SMILES COc1cc(cc(SC)c1C(=O)N[C@]1(CCCN(C)C1)c1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C22H25F3N2O2S/c1-27-11-7-10-21(14-27,15-8-5-4-6-9-15)26-20(28)19-17(29-2)12-16(22(23,24)25)13-18(19)30-3/h4-6,8-9,12-13H,7,10-11,14H2,1-3H3,(H,26,28)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
ACS Med Chem Lett 5: 428-33 (2014)
Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50011135
(CHEMBL3259928)Show SMILES COc1cc(cc(SC)c1C(=O)N[C@]1(CCCN(C)C1)c1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C22H25F3N2O2S/c1-27-11-7-10-21(14-27,15-8-5-4-6-9-15)26-20(28)19-17(29-2)12-16(22(23,24)25)13-18(19)30-3/h4-6,8-9,12-13H,7,10-11,14H2,1-3H3,(H,26,28)/t21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
ACS Med Chem Lett 5: 428-33 (2014)
Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50011167
(CHEMBL3259914)Show SMILES COc1cc(cc(c1C(=O)NC1(CCCN(C1)C(C)=O)c1ccccc1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H22F6N2O3/c1-14(32)31-10-6-9-21(13-31,15-7-4-3-5-8-15)30-20(33)19-17(23(27,28)29)11-16(22(24,25)26)12-18(19)34-2/h3-5,7-8,11-12H,6,9-10,13H2,1-2H3,(H,30,33) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human GlyT1 expressed in cells assessed as [3H]glycine uptake |
ACS Med Chem Lett 5: 428-33 (2014)
Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50011169
(CHEMBL3259916)Show SMILES COc1cc(cc(c1C(=O)NC1(CCCN(C1)S(C)(=O)=O)c1ccccc1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H22F6N2O4S/c1-34-17-12-15(21(23,24)25)11-16(22(26,27)28)18(17)19(31)29-20(14-7-4-3-5-8-14)9-6-10-30(13-20)35(2,32)33/h3-5,7-8,11-12H,6,9-10,13H2,1-2H3,(H,29,31) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human GlyT1 expressed in cells assessed as [3H]glycine uptake |
ACS Med Chem Lett 5: 428-33 (2014)
Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50011142
(CHEMBL3259938)Show SMILES COc1cc(cc(SC)c1C(=O)NC1(CCCN(C)C1)c1ccncc1)C(F)(F)F Show InChI InChI=1S/C21H24F3N3O2S/c1-27-10-4-7-20(13-27,14-5-8-25-9-6-14)26-19(28)18-16(29-2)11-15(21(22,23)24)12-17(18)30-3/h5-6,8-9,11-12H,4,7,10,13H2,1-3H3,(H,26,28) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 60 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human GlyT1 expressed in cells assessed as [3H]glycine uptake |
ACS Med Chem Lett 5: 428-33 (2014)
Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50011151
(CHEMBL3259932)Show SMILES COc1cc(cc(SC)c1C(=O)NC1(CCCN(C)C1)c1ccc(C)cc1)C(F)(F)F Show InChI InChI=1S/C23H27F3N2O2S/c1-15-6-8-16(9-7-15)22(10-5-11-28(2)14-22)27-21(29)20-18(30-3)12-17(23(24,25)26)13-19(20)31-4/h6-9,12-13H,5,10-11,14H2,1-4H3,(H,27,29) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 230 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human GlyT1 expressed in cells assessed as [3H]glycine uptake |
ACS Med Chem Lett 5: 428-33 (2014)
Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50011157
(CHEMBL3259908)Show SMILES COc1cc(cc(c1C(=O)NC1(CCCNC1)c1ccccc1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H20F6N2O2/c1-31-16-11-14(20(22,23)24)10-15(21(25,26)27)17(16)18(30)29-19(8-5-9-28-12-19)13-6-3-2-4-7-13/h2-4,6-7,10-11,28H,5,8-9,12H2,1H3,(H,29,30) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 660 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human GlyT1 expressed in cells assessed as [3H]glycine uptake |
ACS Med Chem Lett 5: 428-33 (2014)
Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Mus musculus) | BDBM50011135
(CHEMBL3259928)Show SMILES COc1cc(cc(SC)c1C(=O)N[C@]1(CCCN(C)C1)c1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C22H25F3N2O2S/c1-27-11-7-10-21(14-27,15-8-5-4-6-9-15)26-20(28)19-17(29-2)12-16(22(23,24)25)13-18(19)30-3/h4-6,8-9,12-13H,7,10-11,14H2,1-3H3,(H,26,28)/t21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 5 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of mouse GlyT1 |
ACS Med Chem Lett 5: 428-33 (2014)
Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50011136
(CHEMBL3259926)Show SMILES COc1cc(cc(SC)c1C(=O)NC1(CCCN(C)C1)c1ccccc1)C(F)(F)F Show InChI InChI=1S/C22H25F3N2O2S/c1-27-11-7-10-21(14-27,15-8-5-4-6-9-15)26-20(28)19-17(29-2)12-16(22(23,24)25)13-18(19)30-3/h4-6,8-9,12-13H,7,10-11,14H2,1-3H3,(H,26,28) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 24 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human GlyT1 expressed in cells assessed as [3H]glycine uptake |
ACS Med Chem Lett 5: 428-33 (2014)
Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50011146
(CHEMBL3259927)Show SMILES COc1cc(cc(SC)c1C(=O)N[C@@]1(CCCN(C)C1)c1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C22H25F3N2O2S/c1-27-11-7-10-21(14-27,15-8-5-4-6-9-15)26-20(28)19-17(29-2)12-16(22(23,24)25)13-18(19)30-3/h4-6,8-9,12-13H,7,10-11,14H2,1-3H3,(H,26,28)/t21-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 180 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human GlyT1 expressed in cells assessed as [3H]glycine uptake |
ACS Med Chem Lett 5: 428-33 (2014)
Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50011150
(CHEMBL3259910)Show SMILES COc1cc(cc(c1C(=O)NC1(CCCN(C1)C(C)C)c1ccccc1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C24H26F6N2O2/c1-15(2)32-11-7-10-22(14-32,16-8-5-4-6-9-16)31-21(33)20-18(24(28,29)30)12-17(23(25,26)27)13-19(20)34-3/h4-6,8-9,12-13,15H,7,10-11,14H2,1-3H3,(H,31,33) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 230 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human GlyT1 expressed in cells assessed as [3H]glycine uptake |
ACS Med Chem Lett 5: 428-33 (2014)
Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50011160
(CHEMBL3259940)Show SMILES COc1cc(cc(SC)c1C(=O)NC1(CCCN(C)C1)c1cnccn1)C(F)(F)F Show InChI InChI=1S/C20H23F3N4O2S/c1-27-8-4-5-19(12-27,16-11-24-6-7-25-16)26-18(28)17-14(29-2)9-13(20(21,22)23)10-15(17)30-3/h6-7,9-11H,4-5,8,12H2,1-3H3,(H,26,28) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.67E+3 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human GlyT1 expressed in cells assessed as [3H]glycine uptake |
ACS Med Chem Lett 5: 428-33 (2014)
Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 2
(Homo sapiens (Human)) | BDBM50011135
(CHEMBL3259928)Show SMILES COc1cc(cc(SC)c1C(=O)N[C@]1(CCCN(C)C1)c1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C22H25F3N2O2S/c1-27-11-7-10-21(14-27,15-8-5-4-6-9-15)26-20(28)19-17(29-2)12-16(22(23,24)25)13-18(19)30-3/h4-6,8-9,12-13H,7,10-11,14H2,1-3H3,(H,26,28)/t21-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human GlyT2 expressed in cells assessed as [3H]glycine uptake |
ACS Med Chem Lett 5: 428-33 (2014)
Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50011171
(CHEMBL3259920)Show SMILES CN1CCCC(C1)(NC(=O)c1ccc(cc1)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C20H21F3N2O/c1-25-13-5-12-19(14-25,16-6-3-2-4-7-16)24-18(26)15-8-10-17(11-9-15)20(21,22)23/h2-4,6-11H,5,12-14H2,1H3,(H,24,26) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human GlyT1 expressed in cells assessed as [3H]glycine uptake |
ACS Med Chem Lett 5: 428-33 (2014)
Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50011172
(CHEMBL3259921)Show SMILES CN1CCCC(C1)(NC(=O)c1ccc(cc1C#N)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C21H20F3N3O/c1-27-11-5-10-20(14-27,16-6-3-2-4-7-16)26-19(28)18-9-8-17(21(22,23)24)12-15(18)13-25/h2-4,6-9,12H,5,10-11,14H2,1H3,(H,26,28) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human GlyT1 expressed in cells assessed as [3H]glycine uptake |
ACS Med Chem Lett 5: 428-33 (2014)
Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50011173
(CHEMBL3259941)Show SMILES COc1cc(cc(SC)c1C(=O)NC1(CCCN(C)C1)c1ncccn1)C(F)(F)F Show InChI InChI=1S/C20H23F3N4O2S/c1-27-9-4-6-19(12-27,18-24-7-5-8-25-18)26-17(28)16-14(29-2)10-13(20(21,22)23)11-15(16)30-3/h5,7-8,10-11H,4,6,9,12H2,1-3H3,(H,26,28) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human GlyT1 expressed in cells assessed as [3H]glycine uptake |
ACS Med Chem Lett 5: 428-33 (2014)
Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50011143
(CHEMBL3259925)Show SMILES CSc1cc(ccc1C(=O)NC1(CCCN(C)C1)c1ccccc1)C(F)(F)F Show InChI InChI=1S/C21H23F3N2OS/c1-26-12-6-11-20(14-26,15-7-4-3-5-8-15)25-19(27)17-10-9-16(21(22,23)24)13-18(17)28-2/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H,25,27) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 67 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human GlyT1 expressed in cells assessed as [3H]glycine uptake |
ACS Med Chem Lett 5: 428-33 (2014)
Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50011154
(CHEMBL3259923)Show SMILES CN1CCCC(C1)(NC(=O)c1ccc(cc1C)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C21H23F3N2O/c1-15-13-17(21(22,23)24)9-10-18(15)19(27)25-20(11-6-12-26(2)14-20)16-7-4-3-5-8-16/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H,25,27) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 320 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human GlyT1 expressed in cells assessed as [3H]glycine uptake |
ACS Med Chem Lett 5: 428-33 (2014)
Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50011158
(CHEMBL3259929)Show InChI InChI=1S/C19H20Cl2N2O/c1-23-11-5-10-19(13-23,14-6-3-2-4-7-14)22-18(24)16-9-8-15(20)12-17(16)21/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,22,24) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 670 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human GlyT1 expressed in cells assessed as [3H]glycine uptake |
ACS Med Chem Lett 5: 428-33 (2014)
Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50011161
(CHEMBL3259942)Show SMILES COc1cc(cc(SC)c1C(=O)NC1(CCCN(C)C1)c1ccncn1)C(F)(F)F Show InChI InChI=1S/C20H23F3N4O2S/c1-27-8-4-6-19(11-27,16-5-7-24-12-25-16)26-18(28)17-14(29-2)9-13(20(21,22)23)10-15(17)30-3/h5,7,9-10,12H,4,6,8,11H2,1-3H3,(H,26,28) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human GlyT1 expressed in cells assessed as [3H]glycine uptake |
ACS Med Chem Lett 5: 428-33 (2014)
Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50011164
(CHEMBL3259913)Show SMILES COc1cc(cc(c1C(=O)NC1(CCCN(Cc2ccccc2)C1)c1ccccc1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C28H26F6N2O2/c1-38-23-16-21(27(29,30)31)15-22(28(32,33)34)24(23)25(37)35-26(20-11-6-3-7-12-20)13-8-14-36(18-26)17-19-9-4-2-5-10-19/h2-7,9-12,15-16H,8,13-14,17-18H2,1H3,(H,35,37) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 6.70E+3 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human GlyT1 expressed in cells assessed as [3H]glycine uptake |
ACS Med Chem Lett 5: 428-33 (2014)
Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50011135
(CHEMBL3259928)Show SMILES COc1cc(cc(SC)c1C(=O)N[C@]1(CCCN(C)C1)c1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C22H25F3N2O2S/c1-27-11-7-10-21(14-27,15-8-5-4-6-9-15)26-20(28)19-17(29-2)12-16(22(23,24)25)13-18(19)30-3/h4-6,8-9,12-13H,7,10-11,14H2,1-3H3,(H,26,28)/t21-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human GlyT1 expressed in cells assessed as [3H]glycine uptake |
ACS Med Chem Lett 5: 428-33 (2014)
Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50011138
(CHEMBL3259930)Show SMILES COc1cc(cc(SC)c1C(=O)NC1(CCCN(C)C1)c1ccc(F)cc1)C(F)(F)F Show InChI InChI=1S/C22H24F4N2O2S/c1-28-10-4-9-21(13-28,14-5-7-16(23)8-6-14)27-20(29)19-17(30-2)11-15(22(24,25)26)12-18(19)31-3/h5-8,11-12H,4,9-10,13H2,1-3H3,(H,27,29) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 26 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human GlyT1 expressed in cells assessed as [3H]glycine uptake |
ACS Med Chem Lett 5: 428-33 (2014)
Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50011140
(CHEMBL3259934)Show SMILES COc1cc(cc(SC)c1C(=O)NC1(CCCN(C)C1)c1cccc(F)c1)C(F)(F)F Show InChI InChI=1S/C22H24F4N2O2S/c1-28-9-5-8-21(13-28,14-6-4-7-16(23)10-14)27-20(29)19-17(30-2)11-15(22(24,25)26)12-18(19)31-3/h4,6-7,10-12H,5,8-9,13H2,1-3H3,(H,27,29) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 48 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human GlyT1 expressed in cells assessed as [3H]glycine uptake |
ACS Med Chem Lett 5: 428-33 (2014)
Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50011159
(CHEMBL3259917)Show SMILES COc1cccc(c1C(=O)NC1(CCCN(C)C1)c1ccccc1)C(F)(F)F Show InChI InChI=1S/C21H23F3N2O2/c1-26-13-7-12-20(14-26,15-8-4-3-5-9-15)25-19(27)18-16(21(22,23)24)10-6-11-17(18)28-2/h3-6,8-11H,7,12-14H2,1-2H3,(H,25,27) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human GlyT1 expressed in cells assessed as [3H]glycine uptake |
ACS Med Chem Lett 5: 428-33 (2014)
Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50011162
(CHEMBL3259918)Show SMILES COc1cc(ccc1C(=O)NC1(CCCN(C)C1)c1ccccc1)C(F)(F)F Show InChI InChI=1S/C21H23F3N2O2/c1-26-12-6-11-20(14-26,15-7-4-3-5-8-15)25-19(27)17-10-9-16(21(22,23)24)13-18(17)28-2/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H,25,27) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human GlyT1 expressed in cells assessed as [3H]glycine uptake |
ACS Med Chem Lett 5: 428-33 (2014)
Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50011168
(CHEMBL3259915)Show SMILES COc1cc(cc(c1C(=O)NC1(CCCN(C1)C(=O)c1ccccc1)c1ccccc1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C28H24F6N2O3/c1-39-22-16-20(27(29,30)31)15-21(28(32,33)34)23(22)24(37)35-26(19-11-6-3-7-12-19)13-8-14-36(17-26)25(38)18-9-4-2-5-10-18/h2-7,9-12,15-16H,8,13-14,17H2,1H3,(H,35,37) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human GlyT1 expressed in cells assessed as [3H]glycine uptake |
ACS Med Chem Lett 5: 428-33 (2014)
Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50011137
(CHEMBL3259935)Show SMILES COc1cc(cc(SC)c1C(=O)NC1(CCCN(C)C1)c1cccc(Cl)c1)C(F)(F)F Show InChI InChI=1S/C22H24ClF3N2O2S/c1-28-9-5-8-21(13-28,14-6-4-7-16(23)10-14)27-20(29)19-17(30-2)11-15(22(24,25)26)12-18(19)31-3/h4,6-7,10-12H,5,8-9,13H2,1-3H3,(H,27,29) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 25 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human GlyT1 expressed in cells assessed as [3H]glycine uptake |
ACS Med Chem Lett 5: 428-33 (2014)
Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50011144
(CHEMBL3259936)Show SMILES COc1cccc(c1)C1(CCCN(C)C1)NC(=O)c1c(OC)cc(cc1SC)C(F)(F)F Show InChI InChI=1S/C23H27F3N2O3S/c1-28-10-6-9-22(14-28,15-7-5-8-17(11-15)30-2)27-21(29)20-18(31-3)12-16(23(24,25)26)13-19(20)32-4/h5,7-8,11-13H,6,9-10,14H2,1-4H3,(H,27,29) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 110 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human GlyT1 expressed in cells assessed as [3H]glycine uptake |
ACS Med Chem Lett 5: 428-33 (2014)
Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50011145
(CHEMBL3259933)Show SMILES COc1ccc(cc1)C1(CCCN(C)C1)NC(=O)c1c(OC)cc(cc1SC)C(F)(F)F Show InChI InChI=1S/C23H27F3N2O3S/c1-28-11-5-10-22(14-28,15-6-8-17(30-2)9-7-15)27-21(29)20-18(31-3)12-16(23(24,25)26)13-19(20)32-4/h6-9,12-13H,5,10-11,14H2,1-4H3,(H,27,29) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 170 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human GlyT1 expressed in cells assessed as [3H]glycine uptake |
ACS Med Chem Lett 5: 428-33 (2014)
Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50011147
(CHEMBL3259939)Show SMILES COc1cc(cc(SC)c1C(=O)NC1(CCCN(C)C1)c1ccc(F)cn1)C(F)(F)F Show InChI InChI=1S/C21H23F4N3O2S/c1-28-8-4-7-20(12-28,17-6-5-14(22)11-26-17)27-19(29)18-15(30-2)9-13(21(23,24)25)10-16(18)31-3/h5-6,9-11H,4,7-8,12H2,1-3H3,(H,27,29) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 180 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human GlyT1 expressed in cells assessed as [3H]glycine uptake |
ACS Med Chem Lett 5: 428-33 (2014)
Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50011155
(CHEMBL3259912)Show SMILES COc1cc(cc(c1C(=O)NC1(CCCN(CC2CC2)C1)c1ccccc1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C25H26F6N2O2/c1-35-20-13-18(24(26,27)28)12-19(25(29,30)31)21(20)22(34)32-23(17-6-3-2-4-7-17)10-5-11-33(15-23)14-16-8-9-16/h2-4,6-7,12-13,16H,5,8-11,14-15H2,1H3,(H,32,34) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 380 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human GlyT1 expressed in cells assessed as [3H]glycine uptake |
ACS Med Chem Lett 5: 428-33 (2014)
Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50011156
(CHEMBL3259919)Show SMILES CN1CCCC(C1)(NC(=O)c1ccc(cc1C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C21H20F6N2O/c1-29-11-5-10-19(13-29,14-6-3-2-4-7-14)28-18(30)16-9-8-15(20(22,23)24)12-17(16)21(25,26)27/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,28,30) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 540 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human GlyT1 expressed in cells assessed as [3H]glycine uptake |
ACS Med Chem Lett 5: 428-33 (2014)
Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50011152
(CHEMBL3259911)Show SMILES COc1cc(cc(c1C(=O)NC1(CCCN(C1)C1CCCC1)c1ccccc1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C26H28F6N2O2/c1-36-21-15-18(25(27,28)29)14-20(26(30,31)32)22(21)23(35)33-24(17-8-3-2-4-9-17)12-7-13-34(16-24)19-10-5-6-11-19/h2-4,8-9,14-15,19H,5-7,10-13,16H2,1H3,(H,33,35) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 270 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human GlyT1 expressed in cells assessed as [3H]glycine uptake |
ACS Med Chem Lett 5: 428-33 (2014)
Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50011153
(CHEMBL3259924)Show SMILES CN1CCCC(C1)(NC(=O)c1ccc(cc1Br)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C20H20BrF3N2O/c1-26-11-5-10-19(13-26,14-6-3-2-4-7-14)25-18(27)16-9-8-15(12-17(16)21)20(22,23)24/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,25,27) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 300 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human GlyT1 expressed in cells assessed as [3H]glycine uptake |
ACS Med Chem Lett 5: 428-33 (2014)
Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50011165
(CHEMBL3259922)Show SMILES CN1CCCC(C1)(NC(=O)c1ccc(cc1F)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C20H20F4N2O/c1-26-11-5-10-19(13-26,14-6-3-2-4-7-14)25-18(27)16-9-8-15(12-17(16)21)20(22,23)24/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,25,27) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 9.90E+3 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human GlyT1 expressed in cells assessed as [3H]glycine uptake |
ACS Med Chem Lett 5: 428-33 (2014)
Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50011141
(CHEMBL3259937)Show SMILES COc1cc(cc(SC)c1C(=O)NC1(CCCN(C)C1)c1cccnc1)C(F)(F)F Show InChI InChI=1S/C21H24F3N3O2S/c1-27-9-5-7-20(13-27,14-6-4-8-25-12-14)26-19(28)18-16(29-2)10-15(21(22,23)24)11-17(18)30-3/h4,6,8,10-12H,5,7,9,13H2,1-3H3,(H,26,28) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 54 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human GlyT1 expressed in cells assessed as [3H]glycine uptake |
ACS Med Chem Lett 5: 428-33 (2014)
Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50011139
(CHEMBL3259931)Show SMILES COc1cc(cc(SC)c1C(=O)NC1(CCCN(C)C1)c1ccc(Cl)cc1)C(F)(F)F Show InChI InChI=1S/C22H24ClF3N2O2S/c1-28-10-4-9-21(13-28,14-5-7-16(23)8-6-14)27-20(29)19-17(30-2)11-15(22(24,25)26)12-18(19)31-3/h5-8,11-12H,4,9-10,13H2,1-3H3,(H,27,29) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 28 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human GlyT1 expressed in cells assessed as [3H]glycine uptake |
ACS Med Chem Lett 5: 428-33 (2014)
Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50011149
(CHEMBL3259909)Show SMILES CCN1CCCC(C1)(NC(=O)c1c(OC)cc(cc1C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C23H24F6N2O2/c1-3-31-11-7-10-21(14-31,15-8-5-4-6-9-15)30-20(32)19-17(23(27,28)29)12-16(22(24,25)26)13-18(19)33-2/h4-6,8-9,12-13H,3,7,10-11,14H2,1-2H3,(H,30,32) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 230 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of human GlyT1 expressed in cells assessed as [3H]glycine uptake |
ACS Med Chem Lett 5: 428-33 (2014)
Article DOI: 10.1021/ml500005m
BindingDB Entry DOI: 10.7270/Q2FF3TWV |
More data for this
Ligand-Target Pair | |
Search and Browse
