BDBM50072822 7-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-propoxy}-3-hydroxymethyl-chromen-4-one::CHEMBL151475

SMILES: OCc1coc2cc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)ccc2c1=O

InChI Key: InChIKey=ICAXEUYZCLRXKY-UHFFFAOYSA-N

Data: 8 KI  2 IC50

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 10 hits for monomerid = 50072822   

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
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50072822 (7-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin...) Show SMILES OCc1coc2cc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)ccc2c1=O Show InChI InChI=1S/C25H25FN2O5/c26-18-2-4-20-23(12-18)33-27-24(20)16-6-9-28(10-7-16)8-1-11-31-19-3-5-21-22(13-19)32-15-17(14-29)25(21)30/h2-5,12-13,15-16,29H,1,6-11,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigación Grupo Ferrer Curated by ChEMBL					Assay Description Binding affinity measured at the 5-hydroxytryptamine 2A receptor by the inhibition of [3H]-ketanserin binding to rat cortex using unlabeled mianserin...				J Med Chem 41: 5402-9 (1999) Article DOI: 10.1021/jm9810396 BindingDB Entry DOI: 10.7270/Q2QC02N8
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50072822 (7-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin...) Show SMILES OCc1coc2cc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)ccc2c1=O Show InChI InChI=1S/C25H25FN2O5/c26-18-2-4-20-23(12-18)33-27-24(20)16-6-9-28(10-7-16)8-1-11-31-19-3-5-21-22(13-19)32-15-17(14-29)25(21)30/h2-5,12-13,15-16,29H,1,6-11,14H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigación Grupo Ferrer Curated by ChEMBL					Assay Description Binding affinity measured at the Alpha-1A adrenergic receptor by the inhibition of [3H]-prazosin binding to rat cortex using unlabeled WB-4101 for no...				J Med Chem 41: 5402-9 (1999) Article DOI: 10.1021/jm9810396 BindingDB Entry DOI: 10.7270/Q2QC02N8
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50072822 (7-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin...) Show SMILES OCc1coc2cc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)ccc2c1=O Show InChI InChI=1S/C25H25FN2O5/c26-18-2-4-20-23(12-18)33-27-24(20)16-6-9-28(10-7-16)8-1-11-31-19-3-5-21-22(13-19)32-15-17(14-29)25(21)30/h2-5,12-13,15-16,29H,1,6-11,14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigación Grupo Ferrer Curated by ChEMBL					Assay Description Binding affinity measured at the Dopamine receptor D3 by the inhibition of [3H]-YM-09151-2 binding to human recombinant CCL 1.3 cells using unlabeled...				J Med Chem 41: 5402-9 (1999) Article DOI: 10.1021/jm9810396 BindingDB Entry DOI: 10.7270/Q2QC02N8
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50072822 (7-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin...) Show SMILES OCc1coc2cc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)ccc2c1=O Show InChI InChI=1S/C25H25FN2O5/c26-18-2-4-20-23(12-18)33-27-24(20)16-6-9-28(10-7-16)8-1-11-31-19-3-5-21-22(13-19)32-15-17(14-29)25(21)30/h2-5,12-13,15-16,29H,1,6-11,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigación Grupo Ferrer Curated by ChEMBL					Assay Description Binding affinity measured at the Dopamine receptor D2 by the inhibition of [3H]-methylspiperone binding to rat striatum using unlabeled haloperidol f...				J Med Chem 41: 5402-9 (1999) Article DOI: 10.1021/jm9810396 BindingDB Entry DOI: 10.7270/Q2QC02N8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50072822 (7-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin...) Show SMILES OCc1coc2cc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)ccc2c1=O Show InChI InChI=1S/C25H25FN2O5/c26-18-2-4-20-23(12-18)33-27-24(20)16-6-9-28(10-7-16)8-1-11-31-19-3-5-21-22(13-19)32-15-17(14-29)25(21)30/h2-5,12-13,15-16,29H,1,6-11,14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigación Grupo Ferrer Curated by ChEMBL					Assay Description Binding affinity measured at the 5-hydroxytryptamine 1A receptor by the inhibition of [3H]-8-OH-DPAT binding to rat cortex using unlabeled buspirone ...				J Med Chem 41: 5402-9 (1999) Article DOI: 10.1021/jm9810396 BindingDB Entry DOI: 10.7270/Q2QC02N8
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50072822 (7-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin...) Show SMILES OCc1coc2cc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)ccc2c1=O Show InChI InChI=1S/C25H25FN2O5/c26-18-2-4-20-23(12-18)33-27-24(20)16-6-9-28(10-7-16)8-1-11-31-19-3-5-21-22(13-19)32-15-17(14-29)25(21)30/h2-5,12-13,15-16,29H,1,6-11,14H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	179	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigación Grupo Ferrer Curated by ChEMBL					Assay Description Binding affinity measured at the Dopamine receptor D4 by the inhibition of [3H]-spiperone binding to human recombinant CHO cells using unlabeled halo...				J Med Chem 41: 5402-9 (1999) Article DOI: 10.1021/jm9810396 BindingDB Entry DOI: 10.7270/Q2QC02N8
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50072822 (7-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin...) Show SMILES OCc1coc2cc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)ccc2c1=O Show InChI InChI=1S/C25H25FN2O5/c26-18-2-4-20-23(12-18)33-27-24(20)16-6-9-28(10-7-16)8-1-11-31-19-3-5-21-22(13-19)32-15-17(14-29)25(21)30/h2-5,12-13,15-16,29H,1,6-11,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	239	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigación Grupo Ferrer Curated by ChEMBL					Assay Description Binding affinity measured at the Dopamine receptor D1 by the inhibition of [3H]-SCH-23,390 binding to rat striatum using unlabeled apomorphine for no...				J Med Chem 41: 5402-9 (1999) Article DOI: 10.1021/jm9810396 BindingDB Entry DOI: 10.7270/Q2QC02N8
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50072822 (7-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin...) Show SMILES OCc1coc2cc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)ccc2c1=O Show InChI InChI=1S/C25H25FN2O5/c26-18-2-4-20-23(12-18)33-27-24(20)16-6-9-28(10-7-16)8-1-11-31-19-3-5-21-22(13-19)32-15-17(14-29)25(21)30/h2-5,12-13,15-16,29H,1,6-11,14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigación Grupo Ferrer Curated by ChEMBL					Assay Description Binding affinity measured at the sigma receptor by the inhibition of [3H]-3-PPP binding to guinea pig cerebellum using unlabeled 3-PPP for nonspecifi...				J Med Chem 41: 5402-9 (1999) Article DOI: 10.1021/jm9810396 BindingDB Entry DOI: 10.7270/Q2QC02N8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50072822 (7-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin...) Show SMILES OCc1coc2cc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)ccc2c1=O Show InChI InChI=1S/C25H25FN2O5/c26-18-2-4-20-23(12-18)33-27-24(20)16-6-9-28(10-7-16)8-1-11-31-19-3-5-21-22(13-19)32-15-17(14-29)25(21)30/h2-5,12-13,15-16,29H,1,6-11,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigación Grupo Ferrer Curated by ChEMBL					Assay Description Inhibition of [3H]-ketanserin binding to rat frontal cortex membrane 5-hydroxytryptamine 2A receptor				J Med Chem 41: 5402-9 (1999) Article DOI: 10.1021/jm9810396 BindingDB Entry DOI: 10.7270/Q2QC02N8
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50072822 (7-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin...) Show SMILES OCc1coc2cc(OCCCN3CCC(CC3)c3noc4cc(F)ccc34)ccc2c1=O Show InChI InChI=1S/C25H25FN2O5/c26-18-2-4-20-23(12-18)33-27-24(20)16-6-9-28(10-7-16)8-1-11-31-19-3-5-21-22(13-19)32-15-17(14-29)25(21)30/h2-5,12-13,15-16,29H,1,6-11,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigación Grupo Ferrer Curated by ChEMBL					Assay Description Inhibition of [3H]-methylspiperone binding to rat striatal membrane Dopamine receptor D2				J Med Chem 41: 5402-9 (1999) Article DOI: 10.1021/jm9810396 BindingDB Entry DOI: 10.7270/Q2QC02N8
					More data for this Ligand-Target Pair