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CHEMBL464651 (12E,20Z,18S)-8-hydroxyvariabilin::5-((2S)-13-(furan-3-yl)-10-hydroxy-2,6,10-trimethyltridec-6-enylidene)-4-hydroxy-3-methylfuran-2(5H)-one

SMILES: C[C@@H](CCC\C(C)=C\CCC(C)(O)CCCc1ccoc1)C=C1OC(=O)C(C)C1=O

InChI Key: InChIKey=MGLGLKGUAHMDTB-HQNDYUFNNA-N

Data: 1 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match
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Other Databases links: PubChem cid PubChem sid ZINC 0

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50316020    Zinc 0: unavailable per Zinc DB. Zinc 1: purchasable, 2 weeks to supply. Zinc 2: made on demand. Zinc 4: potentially available
Target
(Institution)
LigandTarget
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-3


(Homo sapiens)
CHEMBL464651
PNG
((12E,20Z,18S)-8-hydroxyvariabilin | 5-((2S)-13-(fu...)
Show SMILES C[C@@H](CCC\C(C)=C\CCC(C)(O)CCCc1ccoc1)C=C1OC(=O)C(C)C1=O
Show InChI InChI=1/C25H36O5/c1-18(8-5-9-19(2)16-22-23(26)20(3)24(27)30-22)10-6-13-25(4,28)14-7-11-21-12-15-29-17-21/h10,12,15-17,19-20,28H,5-9,11,13-14H2,1-4H3/b18-10+,22-16-/t19-,20?,25?/s2
PDB
MMDB

Reactome pathway
IUPHAR‑DB
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/a 7000.0n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant alpha 3 GlyR expressed in HEK293 cells assessed as inhibition of glycine current influx by whole cell patch ...


Citation and Details
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(Homo sapiens)
CHEMBL464651
PNG
((12E,20Z,18S)-8-hydroxyvariabilin | 5-((2S)-13-(fu...)
Show SMILES C[C@@H](CCC\C(C)=C\CCC(C)(O)CCCc1ccoc1)C=C1OC(=O)C(C)C1=O
Show InChI InChI=1/C25H36O5/c1-18(8-5-9-19(2)16-22-23(26)20(3)24(27)30-22)10-6-13-25(4,28)14-7-11-21-12-15-29-17-21/h10,12,15-17,19-20,28H,5-9,11,13-14H2,1-4H3/b18-10+,22-16-/t19-,20?,25?/s2
PDB
MMDB

Reactome pathway
IUPHAR‑DB
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
ZINC 0

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 1200n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant alpha 1 GlyR expressed in HEK293 cells assessed as potentiation of glycine current by whole cell patch clamp as...


Citation and Details
More data for this
Ligand-Target Pair