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5 similar compounds to monomer 50187874

Compile data set for download or QSAR
Wt: 395.8
BDBM50187868
Wt: 377.8
BDBM50187878
Wt: 377.8
BDBM50187882
Wt: 395.8
BDBM50187884
Wt: 395.8
BDBM50187890

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50187868,50187878,50187882,50187884,50187890   
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))
BDBM50187878
PNG
((R)-1-(2-(2-(3-chlorophenylthio)phenoxy)ethyl)pyrr...)
Show SMILES OC(=O)[C@H]1CCCN1CCOc1ccccc1Sc1cccc(Cl)c1
Show InChI InChI=1S/C19H20ClNO3S/c20-14-5-3-6-15(13-14)25-18-9-2-1-8-17(18)24-12-11-21-10-4-7-16(21)19(22)23/h1-3,5-6,8-9,13,16H,4,7,10-12H2,(H,22,23)/t16-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20E+4n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1b transporter


Bioorg Med Chem Lett 16: 3981-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.017
BindingDB Entry DOI: 10.7270/Q2NS0TGN
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50187868
PNG
((S)-1-(2-(3-chloro-2-(3-fluorophenylthio)phenoxy)e...)
Show SMILES OC(=O)[C@@H]1CCCN1CCOc1cccc(Cl)c1Sc1cccc(F)c1
Show InChI InChI=1S/C19H19ClFNO3S/c20-15-6-2-8-17(18(15)26-14-5-1-4-13(21)12-14)25-11-10-22-9-3-7-16(22)19(23)24/h1-2,4-6,8,12,16H,3,7,9-11H2,(H,23,24)/t16-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1b transporter


Bioorg Med Chem Lett 16: 3981-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.017
BindingDB Entry DOI: 10.7270/Q2NS0TGN
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50187890
PNG
((S)-1-(2-(5-chloro-2-(3-fluorophenylthio)phenoxy)e...)
Show SMILES OC(=O)[C@@H]1CCCN1CCOc1cc(Cl)ccc1Sc1cccc(F)c1
Show InChI InChI=1S/C19H19ClFNO3S/c20-13-6-7-18(26-15-4-1-3-14(21)12-15)17(11-13)25-10-9-22-8-2-5-16(22)19(23)24/h1,3-4,6-7,11-12,16H,2,5,8-10H2,(H,23,24)/t16-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 600n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1b transporter


Bioorg Med Chem Lett 16: 3981-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.017
BindingDB Entry DOI: 10.7270/Q2NS0TGN
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50187884
PNG
((S)-1-(2-(2-chloro-6-(3-fluorophenylthio)phenoxy)e...)
Show SMILES OC(=O)[C@@H]1CCCN1CCOc1c(Cl)cccc1Sc1cccc(F)c1
Show InChI InChI=1S/C19H19ClFNO3S/c20-15-6-2-8-17(26-14-5-1-4-13(21)12-14)18(15)25-11-10-22-9-3-7-16(22)19(23)24/h1-2,4-6,8,12,16H,3,7,9-11H2,(H,23,24)/t16-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1b transporter


Bioorg Med Chem Lett 16: 3981-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.017
BindingDB Entry DOI: 10.7270/Q2NS0TGN
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50187882
PNG
((S)-1-(2-(2-(3-chlorophenylthio)phenoxy)ethyl)pyrr...)
Show SMILES OC(=O)[C@@H]1CCCN1CCOc1ccccc1Sc1cccc(Cl)c1
Show InChI InChI=1S/C19H20ClNO3S/c20-14-5-3-6-15(13-14)25-18-9-2-1-8-17(18)24-12-11-21-10-4-7-16(21)19(22)23/h1-3,5-6,8-9,13,16H,4,7,10-12H2,(H,22,23)/t16-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 380n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1b transporter


Bioorg Med Chem Lett 16: 3981-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.017
BindingDB Entry DOI: 10.7270/Q2NS0TGN
More data for this
Ligand-Target Pair