BDBM50313638 1-(4-methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid::CHEMBL608112

SMILES: COc1ccc(Cn2cc(C(O)=O)c(=O)c3ccccc23)cc1

InChI Key: InChIKey=BZBBTGCKPRSPGF-UHFFFAOYSA-N

Data: 3 IC50  1 Kd  8 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 12 hits for monomerid = 50313638   

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 M1 (Homo sapiens (Human))	BDBM50313638 (1-(4-methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-c...) Show SMILES COc1ccc(Cn2cc(C(O)=O)c(=O)c3ccccc23)cc1 Show InChI InChI=1S/C18H15NO4/c1-23-13-8-6-12(7-9-13)10-19-11-15(18(21)22)17(20)14-4-2-3-5-16(14)19/h2-9,11H,10H2,1H3,(H,21,22)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	170	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Activation of human M1 mAChR expressed in FlpIn-CHO cells assessed as FBS-induced ERK1/2 phosphorylation incubated for 5 mins by Alphascreen assay				J Med Chem 57: 5405-18 (2014) Article DOI: 10.1021/jm500556a BindingDB Entry DOI: 10.7270/Q2TD9ZX9
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50313638 (1-(4-methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-c...) Show SMILES COc1ccc(Cn2cc(C(O)=O)c(=O)c3ccccc23)cc1 Show InChI InChI=1S/C18H15NO4/c1-23-13-8-6-12(7-9-13)10-19-11-15(18(21)22)17(20)14-4-2-3-5-16(14)19/h2-9,11H,10H2,1H3,(H,21,22)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	170	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Activation of human M1 mAChR expressed in FlpIn-CHO cells assessed as FBS-induced ERK1/2 phosphorylation incubated for 5 mins by Alphascreen assay				J Med Chem 57: 5405-18 (2014) Article DOI: 10.1021/jm500556a BindingDB Entry DOI: 10.7270/Q2TD9ZX9
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50313638 (1-(4-methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-c...) Show SMILES COc1ccc(Cn2cc(C(O)=O)c(=O)c3ccccc23)cc1 Show InChI InChI=1S/C18H15NO4/c1-23-13-8-6-12(7-9-13)10-19-11-15(18(21)22)17(20)14-4-2-3-5-16(14)19/h2-9,11H,10H2,1H3,(H,21,22)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	8.32E+3	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Partial agonist activity at human muscarinic M1 acetylcholine receptor expressed in CHO cells assessed as increase in IP1 accumulation incubated for ...				J Med Chem 58: 560-76 (2015) Article DOI: 10.1021/jm500860w BindingDB Entry DOI: 10.7270/Q2125VCS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50313638 (1-(4-methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-c...) Show SMILES COc1ccc(Cn2cc(C(O)=O)c(=O)c3ccccc23)cc1 Show InChI InChI=1S/C18H15NO4/c1-23-13-8-6-12(7-9-13)10-19-11-15(18(21)22)17(20)14-4-2-3-5-16(14)19/h2-9,11H,10H2,1H3,(H,21,22)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	5.50E+4	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of [3H]NMS from human muscarinic M1 acetylcholine receptor expressed in CHO cell membranes by radioligand binding assay				J Med Chem 58: 560-76 (2015) Article DOI: 10.1021/jm500860w BindingDB Entry DOI: 10.7270/Q2125VCS
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50313638 (1-(4-methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-c...) Show SMILES COc1ccc(Cn2cc(C(O)=O)c(=O)c3ccccc23)cc1 Show InChI InChI=1S/C18H15NO4/c1-23-13-8-6-12(7-9-13)10-19-11-15(18(21)22)17(20)14-4-2-3-5-16(14)19/h2-9,11H,10H2,1H3,(H,21,22)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	845	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Potentiation of muscarinic M1 receptor expressed in CHO cells assessed as effect on acetylcholine-induced intracellular calcium mobilization after 1 ...				Bioorg Med Chem Lett 20: 1972-5 (2010) Article DOI: 10.1016/j.bmcl.2010.01.109 BindingDB Entry DOI: 10.7270/Q2057G2P
					More data for this Ligand-Target Pair
Aldose reductase (Rattus norvegicus)	BDBM50313638 (1-(4-methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-c...) Show SMILES COc1ccc(Cn2cc(C(O)=O)c(=O)c3ccccc23)cc1 Show InChI InChI=1S/C18H15NO4/c1-23-13-8-6-12(7-9-13)10-19-11-15(18(21)22)17(20)14-4-2-3-5-16(14)19/h2-9,11H,10H2,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Curated by ChEMBL					Assay Description Inhibition of AKR1B1 in rat lenses				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50313638 (1-(4-methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-c...) Show SMILES COc1ccc(Cn2cc(C(O)=O)c(=O)c3ccccc23)cc1 Show InChI InChI=1S/C18H15NO4/c1-23-13-8-6-12(7-9-13)10-19-11-15(18(21)22)17(20)14-4-2-3-5-16(14)19/h2-9,11H,10H2,1H3,(H,21,22)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	<100	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulation of human muscarinic acetylcholine M1 receptor expressed in CHO-NFAT cells assessed as potentiation of acetylcholine-in...				Bioorg Med Chem Lett 28: 2175-2179 (2018) Article DOI: 10.1016/j.bmcl.2018.05.009 BindingDB Entry DOI: 10.7270/Q2QR50N4
					More data for this Ligand-Target Pair
Cholinesterases; ACHE & BCHE (Homo sapiens (Human))	BDBM50313638 (1-(4-methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-c...) Show SMILES COc1ccc(Cn2cc(C(O)=O)c(=O)c3ccccc23)cc1 Show InChI InChI=1S/C18H15NO4/c1-23-13-8-6-12(7-9-13)10-19-11-15(18(21)22)17(20)14-4-2-3-5-16(14)19/h2-9,11H,10H2,1H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human plasmatic BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured at 2...				Eur J Med Chem 150: 292-306 (2018) Article DOI: 10.1016/j.ejmech.2018.02.083 BindingDB Entry DOI: 10.7270/Q2W95CT0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50313638 (1-(4-methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-c...) Show SMILES COc1ccc(Cn2cc(C(O)=O)c(=O)c3ccccc23)cc1 Show InChI InChI=1S/C18H15NO4/c1-23-13-8-6-12(7-9-13)10-19-11-15(18(21)22)17(20)14-4-2-3-5-16(14)19/h2-9,11H,10H2,1H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured at 2...				Eur J Med Chem 150: 292-306 (2018) Article DOI: 10.1016/j.ejmech.2018.02.083 BindingDB Entry DOI: 10.7270/Q2W95CT0
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50313638 (1-(4-methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-c...) Show SMILES COc1ccc(Cn2cc(C(O)=O)c(=O)c3ccccc23)cc1 Show InChI InChI=1S/C18H15NO4/c1-23-13-8-6-12(7-9-13)10-19-11-15(18(21)22)17(20)14-4-2-3-5-16(14)19/h2-9,11H,10H2,1H3,(H,21,22)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	823	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Positive allosteric modulation of human muscarinic acetylcholine receptor M1 expressed in CHO-NFAT cells assessed as potentiation of acetylcholine-in...				J Med Chem 61: 2875-2894 (2018) Article DOI: 10.1021/acs.jmedchem.7b01812 BindingDB Entry DOI: 10.7270/Q2PV6P1F
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50313638 (1-(4-methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-c...) Show SMILES COc1ccc(Cn2cc(C(O)=O)c(=O)c3ccccc23)cc1 Show InChI InChI=1S/C18H15NO4/c1-23-13-8-6-12(7-9-13)10-19-11-15(18(21)22)17(20)14-4-2-3-5-16(14)19/h2-9,11H,10H2,1H3,(H,21,22)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	129	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Allosteric modulation of human muscarinic M1 acetylcholine receptor expressed CHO cells assessed as intracellular calcium mobilization after 1 hr by ...				J Med Chem 56: 5151-72 (2013) Article DOI: 10.1021/jm400540b BindingDB Entry DOI: 10.7270/Q2WS8X52
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50313638 (1-(4-methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-c...) Show SMILES COc1ccc(Cn2cc(C(O)=O)c(=O)c3ccccc23)cc1 Show InChI InChI=1S/C18H15NO4/c1-23-13-8-6-12(7-9-13)10-19-11-15(18(21)22)17(20)14-4-2-3-5-16(14)19/h2-9,11H,10H2,1H3,(H,21,22)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	820	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulation activity at muscarinic M1 receptor				J Med Chem 55: 1445-64 (2012) Article DOI: 10.1021/jm201139r BindingDB Entry DOI: 10.7270/Q25D8SWH
					More data for this Ligand-Target Pair