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PDB code 5CFB

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 7 hits Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Glycine receptor subunit alpha-1

  (288/309 = 93%)
(RAT)
BDBM50225707
PNG
(CHEBI:28973 | Strychnine)
Show SMILES [H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6c7ccccc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |c:5|
Show InChI InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1
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12n/an/an/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]strychnine from glycine receptor alpha 1 in rat brain synaptic membranes


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
BindingDB Entry DOI: 10.7270/Q2QZ2D66
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycine receptor subunit alpha-1

  (288/309 = 93%)
(Homo sapiens (Human))
BDBM50225707
PNG
(CHEBI:28973 | Strychnine)
Show SMILES [H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6c7ccccc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |c:5|
Show InChI InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1
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23n/an/an/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Displacement of [3H]strychnine from recombinant human glycine receptor alpha 1 expressed in HEK293 cell membranes after 30 mins by liquid scintillati...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
BindingDB Entry DOI: 10.7270/Q2QZ2D66
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycine receptor subunit alpha-1

  (288/309 = 93%)
(Homo sapiens (Human))
BDBM50225707
PNG
(CHEBI:28973 | Strychnine)
Show SMILES [H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6c7ccccc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |c:5|
Show InChI InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1
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n/an/a 51n/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 expressed in HEK293 cells assessed as inhibition of glycine-induced current at -50 ...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
BindingDB Entry DOI: 10.7270/Q2QZ2D66
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycine receptor subunit alpha-1/beta

  (288/309 = 93%)
(Homo sapiens (Human))
BDBM50225707
PNG
(CHEBI:28973 | Strychnine)
Show SMILES [H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6c7ccccc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |c:5|
Show InChI InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1
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n/an/a 58n/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in HEK293 cells assessed as inhibition of glycine-induced current at...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
BindingDB Entry DOI: 10.7270/Q2QZ2D66
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycine receptor subunit alpha-1

  (288/309 = 93%)
(Homo sapiens (Human))
BDBM50225707
PNG
(CHEBI:28973 | Strychnine)
Show SMILES [H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6c7ccccc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |c:5|
Show InChI InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1
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n/an/a 93n/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 expressed in human tsA201 cells assessed as inhibition of glycine-induced receptor ...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
BindingDB Entry DOI: 10.7270/Q2QZ2D66
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycine receptor subunit alpha-1/beta

  (288/309 = 93%)
(Homo sapiens (Human))
BDBM50225707
PNG
(CHEBI:28973 | Strychnine)
Show SMILES [H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6c7ccccc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |c:5|
Show InChI InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1
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n/an/a 180n/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in human tsA201 cells assessed as inhibition of glycine-induced rece...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
BindingDB Entry DOI: 10.7270/Q2QZ2D66
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycine receptor subunit alpha-1/beta

  (288/309 = 93%)
(Homo sapiens (Human))
BDBM50225707
PNG
(CHEBI:28973 | Strychnine)
Show SMILES [H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6c7ccccc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |c:5|
Show InChI InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1
PDB

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antibodypedia
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n/an/a 182n/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human glycine receptor alpha 1 beta expressed in human tsA201 cells assessed as inhibition of glycine-induced rece...


J Nat Prod 79: 2997-3005 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00479
BindingDB Entry DOI: 10.7270/Q2QZ2D66
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output