BDBM50145339 1-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-ethyl}-isochroman-6-carboxylic acid amide::CHEMBL79853

SMILES: NC(=O)c1ccc2C(CCN3CCC(=CC3)c3noc4cc(F)ccc34)OCCc2c1

InChI Key: InChIKey=LIWHOEWNGHFGGB-UHFFFAOYSA-N

Data: 5 KI

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 = 50145339   

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
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50145339 (1-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-3,6-dihyd...) Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3noc4cc(F)ccc34)OCCc2c1 |c:13| Show InChI InChI=1S/C24H24FN3O3/c25-18-2-4-20-22(14-18)31-27-23(20)15-5-9-28(10-6-15)11-7-21-19-3-1-17(24(26)29)13-16(19)8-12-30-21/h1-5,13-14,21H,6-12H2,(H2,26,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description Binding affinity determined against alpha-1 adrenergic receptor in rat cortex membranes using [3H]prazosin as radioligand				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50145339 (1-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-3,6-dihyd...) Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3noc4cc(F)ccc34)OCCc2c1 |c:13| Show InChI InChI=1S/C24H24FN3O3/c25-18-2-4-20-22(14-18)31-27-23(20)15-5-9-28(10-6-15)11-7-21-19-3-1-17(24(26)29)13-16(19)8-12-30-21/h1-5,13-14,21H,6-12H2,(H2,26,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description In vitro binding affinity towards serotonin transporter using [3H]citalopram as radioligand in rat cerebral cortex membranes				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50145339 (1-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-3,6-dihyd...) Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3noc4cc(F)ccc34)OCCc2c1 |c:13| Show InChI InChI=1S/C24H24FN3O3/c25-18-2-4-20-22(14-18)31-27-23(20)15-5-9-28(10-6-15)11-7-21-19-3-1-17(24(26)29)13-16(19)8-12-30-21/h1-5,13-14,21H,6-12H2,(H2,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description Binding affinity determined against dopamine receptor D2 in rat caudate membranes using [3H]- raclopride as radioligand				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50145339 (1-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-3,6-dihyd...) Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3noc4cc(F)ccc34)OCCc2c1 |c:13| Show InChI InChI=1S/C24H24FN3O3/c25-18-2-4-20-22(14-18)31-27-23(20)15-5-9-28(10-6-15)11-7-21-19-3-1-17(24(26)29)13-16(19)8-12-30-21/h1-5,13-14,21H,6-12H2,(H2,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 1D receptor in L-M(tk-) cells using [3H]GR-125743 as radioligand				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50145339 (1-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-3,6-dihyd...) Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3noc4cc(F)ccc34)OCCc2c1 |c:13| Show InChI InChI=1S/C24H24FN3O3/c25-18-2-4-20-22(14-18)31-27-23(20)15-5-9-28(10-6-15)11-7-21-19-3-1-17(24(26)29)13-16(19)8-12-30-21/h1-5,13-14,21H,6-12H2,(H2,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	155	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Co. Ltd Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 1B receptor in L-M(tk-) cells using [3H]GR-125743 as radioligand				Bioorg Med Chem Lett 14: 2469-72 (2004) Article DOI: 10.1016/j.bmcl.2004.03.003 BindingDB Entry DOI: 10.7270/Q2057GG2
					More data for this Ligand-Target Pair