BDBM50023575 4-hydroxy-butyric acid::4-hydroxybutanoic acid::4-hydroxybutyric acid::CHEMBL1342::GHB::Gamma Hydroxybutyric Acid::Xyrem::gamma-hydroxybutyric acid

SMILES: OCCCC(O)=O

InChI Key: InChIKey=SJZRECIVHVDYJC-UHFFFAOYSA-N

Data: 1 KI  2 IC50

PDB links: 275 PDB IDs match this monomer.

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 3 hits for monomerid = 50023575   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Proton-coupled amino acid transporter 1 (Homo sapiens (Human))	BDBM50023575 (4-hydroxy-butyric acid | 4-hydroxybutanoic acid | ...) Show SMILES OCCCC(O)=O Show InChI InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.50E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of human PAT1-mediated L-[3H]proline uptake in human Caco2 cells after 10 mins by liquid scintillation counting				Bioorg Med Chem 19: 6409-18 (2011) Checked by Author Article DOI: 10.1016/j.bmc.2011.08.058 BindingDB Entry DOI: 10.7270/Q2NZ882D
					More data for this Ligand-Target Pair
Gamma hydroxybutyric, GHB (RAT)	BDBM50023575 (4-hydroxy-butyric acid | 4-hydroxybutanoic acid | ...) Show SMILES OCCCC(O)=O Show InChI InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Neurochimie du CNRS Curated by ChEMBL					Assay Description Binding affinity towards [3H]-GHB binding site				J Med Chem 31: 893-7 (1988) BindingDB Entry DOI: 10.7270/Q2JM28NC
					More data for this Ligand-Target Pair
Gamma hydroxybutyric, GHB (RAT)	BDBM50023575 (4-hydroxy-butyric acid | 4-hydroxybutanoic acid | ...) Show SMILES OCCCC(O)=O Show InChI InChI=1S/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Maryland Curated by ChEMBL					Assay Description Displacement of [3H]-NCS-382 (16 nM) from GHB receptor of rat cerebrocortical membranes				Bioorg Med Chem Lett 15: 3201-2 (2005) Article DOI: 10.1016/j.bmcl.2005.05.011 BindingDB Entry DOI: 10.7270/Q2MP52TK
					More data for this Ligand-Target Pair