BindingDB PrimarySearch

BDBM50113332 3-(2-(4-(4-fluorobenzoyl)piperidin-1-yl)ethyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one::3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-2-thioxo-2,3-dihydro-1H-quinazolin-4-one::CHEMBL62919::altanserin

SMILES: Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1

InChI Key: InChIKey=SMYALUSCZJXWHG-UHFFFAOYSA-N

Data: 12 KI 1 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50113332
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
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50113332 (3-(2-(4-(4-fluorobenzoyl)piperidin-1-yl)ethyl)-2-t...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz Curated by ChEMBL					Assay Description Displacement of [3H]altanserine from rat cortical membrane 5HT2A receptor				Bioorg Med Chem 17: 2989-3002 (2009) Article DOI: 10.1016/j.bmc.2009.03.021 BindingDB Entry DOI: 10.7270/Q21V5DW2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50113332 (3-(2-(4-(4-fluorobenzoyl)piperidin-1-yl)ethyl)-2-t...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mainz Curated by ChEMBL					Assay Description Binding affinity to 5HT2A receptor				Bioorg Med Chem Lett 18: 1515-9 (2008) Article DOI: 10.1016/j.bmcl.2007.12.054 BindingDB Entry DOI: 10.7270/Q23F4QHZ
University of Mainz Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50113332 (3-(2-(4-(4-fluorobenzoyl)piperidin-1-yl)ethyl)-2-t...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 2A receptor in humans				J Med Chem 45: 2319-24 (2002) BindingDB Entry DOI: 10.7270/Q2B27TM2
Yale University Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50113332 (3-(2-(4-(4-fluorobenzoyl)piperidin-1-yl)ethyl)-2-t...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz Curated by ChEMBL					Assay Description Displacement of [3H]MDL from rat 5HT2A receptor expressed in GF62 cells by liquid scintillation analyser				Bioorg Med Chem 17: 2989-3002 (2009) Article DOI: 10.1016/j.bmc.2009.03.021 BindingDB Entry DOI: 10.7270/Q21V5DW2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50113332 (3-(2-(4-(4-fluorobenzoyl)piperidin-1-yl)ethyl)-2-t...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mainz Curated by ChEMBL					Assay Description Displacement of [3H]MDL from rat 5HT2A receptor expressed in GF62 cells				Bioorg Med Chem Lett 18: 1515-9 (2008) Article DOI: 10.1016/j.bmcl.2007.12.054 BindingDB Entry DOI: 10.7270/Q23F4QHZ
University of Mainz Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50113332 (3-(2-(4-(4-fluorobenzoyl)piperidin-1-yl)ethyl)-2-t...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz Curated by ChEMBL					Assay Description Binding affinity to 5HT2C receptor (unknown origin) by competitive binding experiment				Bioorg Med Chem 17: 2989-3002 (2009) Article DOI: 10.1016/j.bmc.2009.03.021 BindingDB Entry DOI: 10.7270/Q21V5DW2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50113332 (3-(2-(4-(4-fluorobenzoyl)piperidin-1-yl)ethyl)-2-t...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz Curated by ChEMBL					Assay Description Binding affinity to dopamine D2 receptor (unknown origin) by competitive binding experiment				Bioorg Med Chem 17: 2989-3002 (2009) Article DOI: 10.1016/j.bmc.2009.03.021 BindingDB Entry DOI: 10.7270/Q21V5DW2
					More data for this Ligand-Target Pair
adrenergic Alpha2 (RAT)	BDBM50113332 (3-(2-(4-(4-fluorobenzoyl)piperidin-1-yl)ethyl)-2-t...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica Curated by PDSP K_i Database									Eur J Pharmacol 129: 49-55 (1986) Article DOI: 10.1016/0014-2999(86)90335-3 BindingDB Entry DOI: 10.7270/Q27S7M8D
Janssen Pharmaceutica Curated by PDSP K_i Database					More data for this Ligand-Target Pair
adrenergic Alpha2 (RAT)	BDBM50113332 (3-(2-(4-(4-fluorobenzoyl)piperidin-1-yl)ethyl)-2-t...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica Curated by PDSP K_i Database									Eur J Pharmacol 129: 49-55 (1986) Article DOI: 10.1016/0014-2999(86)90335-3 BindingDB Entry DOI: 10.7270/Q27S7M8D
Janssen Pharmaceutica Curated by PDSP K_i Database					More data for this Ligand-Target Pair
adrenergic Alpha2 (RAT)	BDBM50113332 (3-(2-(4-(4-fluorobenzoyl)piperidin-1-yl)ethyl)-2-t...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica Curated by PDSP K_i Database									Eur J Pharmacol 129: 49-55 (1986) Article DOI: 10.1016/0014-2999(86)90335-3 BindingDB Entry DOI: 10.7270/Q27S7M8D
Janssen Pharmaceutica Curated by PDSP K_i Database					More data for this Ligand-Target Pair
adrenergic Alpha2 (RAT)	BDBM50113332 (3-(2-(4-(4-fluorobenzoyl)piperidin-1-yl)ethyl)-2-t...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica Curated by PDSP K_i Database									Eur J Pharmacol 129: 49-55 (1986) Article DOI: 10.1016/0014-2999(86)90335-3 BindingDB Entry DOI: 10.7270/Q27S7M8D
Janssen Pharmaceutica Curated by PDSP K_i Database					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50113332 (3-(2-(4-(4-fluorobenzoyl)piperidin-1-yl)ethyl)-2-t...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.57E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz Curated by ChEMBL					Assay Description Binding affinity to 5-HT1A receptor (unknown origin) by competitive binding experiment				Bioorg Med Chem 17: 2989-3002 (2009) Article DOI: 10.1016/j.bmc.2009.03.021 BindingDB Entry DOI: 10.7270/Q21V5DW2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50113332 (3-(2-(4-(4-fluorobenzoyl)piperidin-1-yl)ethyl)-2-t...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Dominican College Curated by ChEMBL					Assay Description Antagonist activity at recombinant human 5-HT2A expressed in human U2OS cells by pathhunter beta-arrestin assay				Bioorg Med Chem Lett 30: (2020)
Dominican College Curated by ChEMBL					More data for this Ligand-Target Pair