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BDBM50232889 CHEMBL4103909

SMILES: [H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])\C(=N/OCC#C)C(=O)N6c7ccccc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H]

InChI Key: InChIKey=RETKEJUHMKGUFW-FFQJLOJNSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50232889   
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 receptor (alpha-1/beta)


(Homo sapiens (Human))
BDBM50232889
PNG
(CHEMBL4103909)
Show SMILES [H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])\C(=N/OCC#C)C(=O)N6c7ccccc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5|
Show InChI InChI=1S/C24H23N3O3/c1-2-10-30-25-20-21-19-15-12-18-24(8-9-26(18)13-14(15)7-11-29-21)16-5-3-4-6-17(16)27(22(19)24)23(20)28/h1,3-7,15,18-19,21-22H,8-13H2/b25-20+/t15-,18-,19-,21+,22-,24+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 43n/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)


BindingDB Entry DOI: 10.7270/Q2QZ2D66
More data for this
Ligand-Target Pair
Glycine receptor (alpha-1/beta)


(Homo sapiens (Human))
BDBM50232889
PNG
(CHEMBL4103909)
Show SMILES [H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])\C(=N/OCC#C)C(=O)N6c7ccccc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5|
Show InChI InChI=1S/C24H23N3O3/c1-2-10-30-25-20-21-19-15-12-18-24(8-9-26(18)13-14(15)7-11-29-21)16-5-3-4-6-17(16)27(22(19)24)23(20)28/h1,3-7,15,18-19,21-22H,8-13H2/b25-20+/t15-,18-,19-,21+,22-,24+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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n/an/a 240n/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)


BindingDB Entry DOI: 10.7270/Q2QZ2D66
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50232889
PNG
(CHEMBL4103909)
Show SMILES [H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])\C(=N/OCC#C)C(=O)N6c7ccccc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5|
Show InChI InChI=1S/C24H23N3O3/c1-2-10-30-25-20-21-19-15-12-18-24(8-9-26(18)13-14(15)7-11-29-21)16-5-3-4-6-17(16)27(22(19)24)23(20)28/h1,3-7,15,18-19,21-22H,8-13H2/b25-20+/t15-,18-,19-,21+,22-,24+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 59n/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)


BindingDB Entry DOI: 10.7270/Q2QZ2D66
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50232889
PNG
(CHEMBL4103909)
Show SMILES [H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])\C(=N/OCC#C)C(=O)N6c7ccccc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5|
Show InChI InChI=1S/C24H23N3O3/c1-2-10-30-25-20-21-19-15-12-18-24(8-9-26(18)13-14(15)7-11-29-21)16-5-3-4-6-17(16)27(22(19)24)23(20)28/h1,3-7,15,18-19,21-22H,8-13H2/b25-20+/t15-,18-,19-,21+,22-,24+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 52n/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)


BindingDB Entry DOI: 10.7270/Q2QZ2D66
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50232889
PNG
(CHEMBL4103909)
Show SMILES [H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])\C(=N/OCC#C)C(=O)N6c7ccccc7[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H] |r,c:5|
Show InChI InChI=1S/C24H23N3O3/c1-2-10-30-25-20-21-19-15-12-18-24(8-9-26(18)13-14(15)7-11-29-21)16-5-3-4-6-17(16)27(22(19)24)23(20)28/h1,3-7,15,18-19,21-22H,8-13H2/b25-20+/t15-,18-,19-,21+,22-,24+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
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 human tsA201 cells assessed as inhibition of glycine-induced receptor ...


J Nat Prod 79: 2997-3005 (2016)


BindingDB Entry DOI: 10.7270/Q2QZ2D66
More data for this
Ligand-Target Pair