BDBM50039843 1,4,5,6-Tetrahydro-pyrimidine-5-carboxylic acid prop-2-ynyl ester; hydrochloride::CHEMBL542065

SMILES: O=C(OCC#C)C1CNC=NC1

InChI Key: InChIKey=KEBHGVXTLDRPHQ-UHFFFAOYSA-N

Data: 2 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 5 hits for monomerid = 50039843   

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)	BDBM50039843 (1,4,5,6-Tetrahydro-pyrimidine-5-carboxylic acid pr...) Show SMILES O=C(OCC#C)C1CNC=NC1 |c:9| Show InChI InChI=1S/C8H10N2O2/c1-2-3-12-8(11)7-4-9-6-10-5-7/h1,6-7H,3-5H2,(H,9,10)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90	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)	BDBM50039843 (1,4,5,6-Tetrahydro-pyrimidine-5-carboxylic acid pr...) Show SMILES O=C(OCC#C)C1CNC=NC1 |c:9| Show InChI InChI=1S/C8H10N2O2/c1-2-3-12-8(11)7-4-9-6-10-5-7/h1,6-7H,3-5H2,(H,9,10)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	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 (RAT)	BDBM50039843 (1,4,5,6-Tetrahydro-pyrimidine-5-carboxylic acid pr...) Show SMILES O=C(OCC#C)C1CNC=NC1 |c:9| Show InChI InChI=1S/C8H10N2O2/c1-2-3-12-8(11)7-4-9-6-10-5-7/h1,6-7H,3-5H2,(H,9,10)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	3.30E+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)	BDBM50039843 (1,4,5,6-Tetrahydro-pyrimidine-5-carboxylic acid pr...) Show SMILES O=C(OCC#C)C1CNC=NC1 |c:9| Show InChI InChI=1S/C8H10N2O2/c1-2-3-12-8(11)7-4-9-6-10-5-7/h1,6-7H,3-5H2,(H,9,10)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.80E+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 (Mus musculus)	BDBM50039843 (1,4,5,6-Tetrahydro-pyrimidine-5-carboxylic acid pr...) Show SMILES O=C(OCC#C)C1CNC=NC1 |c:9| Show InChI InChI=1S/C8H10N2O2/c1-2-3-12-8(11)7-4-9-6-10-5-7/h1,6-7H,3-5H2,(H,9,10)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.30E+4	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