BindingDB PrimarySearch

BDBM50055935 5-Ethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione::5-ethyl-5-(1-methylbutyl)barbituric acid::5-ethyl-5-(pentan-2-yl)pyrimidine-2,4,6(1H,3H,5H)-trione::5-ethyl-5-(sec-pentyl)barbituric acid::CHEMBL448::Nembutal::PENTOBARBITAL::Pentobarbitone

SMILES: CCCC(C)C1(CC)C(=O)NC(=O)NC1=O

InChI Key: InChIKey=WEXRUCMBJFQVBZ-UHFFFAOYSA-N

Data: 1 KI 5 IC50 1 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50055935
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Histamine H1 receptor (Homo sapiens (Human))	BDBM50055935 (5-Ethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidi...) Show SMILES CCCC(C)C1(CC)C(=O)NC(=O)NC1=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Foundation Curated by PDSP K_i Database									Brain Res 304: 1-7 (1984) Article DOI: 10.1016/0006-8993(84)90856-4 BindingDB Entry DOI: 10.7270/Q21N7ZMS
Mayo Foundation Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50055935 (5-Ethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidi...) Show SMILES CCCC(C)C1(CC)C(=O)NC(=O)NC1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.28E+7	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibitory concentration against IKr potassium channel				Bioorg Med Chem Lett 14: 4771-7 (2004) Article DOI: 10.1016/j.bmcl.2004.06.070 BindingDB Entry DOI: 10.7270/Q208661K
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
Voltage-gated L-type calcium channel (Homo sapiens (Human))	BDBM50055935 (5-Ethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidi...) Show SMILES CCCC(C)C1(CC)C(=O)NC(=O)NC1=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.99E+5	n/a	n/a	n/a	n/a	n/a	n/a
ChanTest Corporation Curated by ChEMBL					Assay Description Inhibition of Cav1.2 current measured using PatchXpress automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subuni...				Sci Rep 3: (2013) Article DOI: 10.1038/srep02100 BindingDB Entry DOI: 10.7270/Q2RB77K2
ChanTest Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50055935 (5-Ethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidi...) Show SMILES CCCC(C)C1(CC)C(=O)NC(=O)NC1=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Displacement of [3H]R-(-)-14 from human FLAG-tagged alpha1 GABA A receptor expressed in HEK293S cells				J Med Chem 55: 6554-65 (2012) Article DOI: 10.1021/jm300631e BindingDB Entry DOI: 10.7270/Q25B03MX
Massachusetts General Hospital Curated by ChEMBL					More data for this Ligand-Target Pair
GABA A receptor alpha-4/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50055935 (5-Ethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidi...) Show SMILES CCCC(C)C1(CC)C(=O)NC(=O)NC1=O Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	8.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Displacement of [3H]R-(-)-14 from human FLAG-tagged beta3 GABA A receptor expressed in HEK293S cells				J Med Chem 55: 6554-65 (2012) Article DOI: 10.1021/jm300631e BindingDB Entry DOI: 10.7270/Q25B03MX
Massachusetts General Hospital Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50055935 (5-Ethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidi...) Show SMILES CCCC(C)C1(CC)C(=O)NC(=O)NC1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.32E+5	n/a	n/a	n/a	n/a	n/a	n/a
TCG Lifesciences Ltd. Curated by ChEMBL					Assay Description Inhibition of human ERG				Eur J Med Chem 46: 618-30 (2011) Article DOI: 10.1016/j.ejmech.2010.11.042 BindingDB Entry DOI: 10.7270/Q2WQ052W
TCG Lifesciences Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
GABA receptor alpha-2/beta-2/gamma-2 subunit (Homo sapiens (Human))	BDBM50055935 (5-Ethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidi...) Show SMILES CCCC(C)C1(CC)C(=O)NC(=O)NC1=O Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a
Universit£ di Sassari Curated by ChEMBL					Assay Description Effective concentration against GABA-evoked chloride currents mediated by human Gamma-aminobutyric acid GABA-A receptor alpha2-beta2-gamma2L expresse...				J Med Chem 48: 2638-45 (2005) Article DOI: 10.1021/jm049120y BindingDB Entry DOI: 10.7270/Q2VH5PMS
Universit£ di Sassari Curated by ChEMBL					More data for this Ligand-Target Pair