BDBM50039839 1,4,5,6-Tetrahydro-pyrimidine-5-carboxylic acid methyl ester; hydrochloride::CHEMBL538467

SMILES: COC(=O)C1CNC=NC1

InChI Key: InChIKey=ASEICNBZJHLFCN-UHFFFAOYSA-N

Data: 3 KI  1 IC50  2 EC50

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 6 hits for monomerid = 50039839   

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
Muscarinic acetylcholine receptor (Mus musculus)	BDBM50039839 (1,4,5,6-Tetrahydro-pyrimidine-5-carboxylic acid me...) Show SMILES COC(=O)C1CNC=NC1 |c:7| Show InChI InChI=1S/C6H10N2O2/c1-10-6(9)5-2-7-4-8-3-5/h4-5H,2-3H2,1H3,(H,7,8)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Toledo Curated by ChEMBL					Assay Description Binding affinity (low) of [3H](R)-QNB binding to Muscarinic acetylcholine receptor M1 expressed in A9 L cell line in the absence of 300 uM GTP-gamma-...				J Med Chem 40: 1230-46 (1997) Article DOI: 10.1021/jm960467d BindingDB Entry DOI: 10.7270/Q28916HS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor (Mus musculus)	BDBM50039839 (1,4,5,6-Tetrahydro-pyrimidine-5-carboxylic acid me...) Show SMILES COC(=O)C1CNC=NC1 |c:7| Show InChI InChI=1S/C6H10N2O2/c1-10-6(9)5-2-7-4-8-3-5/h4-5H,2-3H2,1H3,(H,7,8)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Toledo Curated by ChEMBL					Assay Description Binding affinity (low) of [3H](R)-QNB binding to Muscarinic acetylcholine receptor M1 expressed in A9 L cell line in the absence of 300 uM GTP-gamma-...				J Med Chem 40: 1230-46 (1997) Article DOI: 10.1021/jm960467d BindingDB Entry DOI: 10.7270/Q28916HS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor (Mus musculus)	BDBM50039839 (1,4,5,6-Tetrahydro-pyrimidine-5-carboxylic acid me...) Show SMILES COC(=O)C1CNC=NC1 |c:7| Show InChI InChI=1S/C6H10N2O2/c1-10-6(9)5-2-7-4-8-3-5/h4-5H,2-3H2,1H3,(H,7,8)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	359	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Toledo Curated by ChEMBL					Assay Description Binding affinity (high) of [3H](R)-QNB binding to Muscarinic acetylcholine receptor M1 expressed in A9 L cell line in the absence of 300 uM GTP-gamma...				J Med Chem 40: 1230-46 (1997) Article DOI: 10.1021/jm960467d BindingDB Entry DOI: 10.7270/Q28916HS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor (Mus musculus)	BDBM50039839 (1,4,5,6-Tetrahydro-pyrimidine-5-carboxylic acid me...) Show SMILES COC(=O)C1CNC=NC1 |c:7| Show InChI InChI=1S/C6H10N2O2/c1-10-6(9)5-2-7-4-8-3-5/h4-5H,2-3H2,1H3,(H,7,8)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a
The University of Toledo Curated by ChEMBL					Assay Description Tested against Muscarinic acetylcholine receptor M3 expressed in A9 L cell line				J Med Chem 40: 1230-46 (1997) Article DOI: 10.1021/jm960467d BindingDB Entry DOI: 10.7270/Q28916HS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor (RAT)	BDBM50039839 (1,4,5,6-Tetrahydro-pyrimidine-5-carboxylic acid me...) Show SMILES COC(=O)C1CNC=NC1 |c:7| Show InChI InChI=1S/C6H10N2O2/c1-10-6(9)5-2-7-4-8-3-5/h4-5H,2-3H2,1H3,(H,7,8)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity at 5-hydroxytryptamine 3 receptor in rat posterior cortex by [3H]-BRL 43694 displacement.				Citation and Details BindingDB Entry DOI: 10.7270/Q24M96PX
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor (Mus musculus)	BDBM50039839 (1,4,5,6-Tetrahydro-pyrimidine-5-carboxylic acid me...) Show SMILES COC(=O)C1CNC=NC1 |c:7| Show InChI InChI=1S/C6H10N2O2/c1-10-6(9)5-2-7-4-8-3-5/h4-5H,2-3H2,1H3,(H,7,8)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a
The University of Toledo Curated by ChEMBL					Assay Description Tested against Muscarinic acetylcholine receptor M1 expressed in A9 L cell line				J Med Chem 40: 1230-46 (1997) Article DOI: 10.1021/jm960467d BindingDB Entry DOI: 10.7270/Q28916HS
					More data for this Ligand-Target Pair