BindingDB PrimarySearch

BDBM50145347 1-(2-(4-(6-fluoro-1H-indol-3-yl)-5,6-dihydropyridin-1(2H)-yl)ethyl)-3,4-dihydro-1H-isochromene-6-carboxamide::1-{2-[4-(6-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-ethyl}-isochroman-6-carboxylic acid amide::CHEMBL83617

SMILES: NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4cc(F)ccc34)OCCc2c1

InChI Key: InChIKey=AYGLZYIWAZBQDC-UHFFFAOYSA-N

Data: 13 KI 1 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50145347
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
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50145347 (1-(2-(4-(6-fluoro-1H-indol-3-yl)-5,6-dihydropyridi...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly SA Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from human 5HT transpoter expressed in HEK293 cells				Bioorg Med Chem Lett 17: 3344-8 (2007) Article DOI: 10.1016/j.bmcl.2007.03.101 BindingDB Entry DOI: 10.7270/Q20V8CG3
Lilly SA Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50145347 (1-(2-(4-(6-fluoro-1H-indol-3-yl)-5,6-dihydropyridi...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.110	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
Eli Lilly and Co. Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50145347 (1-(2-(4-(6-fluoro-1H-indol-3-yl)-5,6-dihydropyridi...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Curated by ChEMBL					Assay Description Inhibition constant against dopamine receptor D2				J Med Chem 48: 6523-43 (2005) Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9
Organon Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50145347 (1-(2-(4-(6-fluoro-1H-indol-3-yl)-5,6-dihydropyridi...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	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
Eli Lilly and Co. Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50145347 (1-(2-(4-(6-fluoro-1H-indol-3-yl)-5,6-dihydropyridi...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly SA Curated by ChEMBL					Assay Description Displacement of [3H]GR125743 from human 5HT1D expressed in LM(tk-) cells				Bioorg Med Chem Lett 17: 3344-8 (2007) Article DOI: 10.1016/j.bmcl.2007.03.101 BindingDB Entry DOI: 10.7270/Q20V8CG3
Lilly SA Curated by ChEMBL					More data for this Ligand-Target Pair
Adrenergic receptor alpha-1 (Homo sapiens (Human))	BDBM50145347 (1-(2-(4-(6-fluoro-1H-indol-3-yl)-5,6-dihydropyridi...) Show SMILES Show InChI	MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Curated by ChEMBL					Assay Description Inhibition constant against alpha adrenergic receptor				J Med Chem 48: 6523-43 (2005) Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9
Organon Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50145347 (1-(2-(4-(6-fluoro-1H-indol-3-yl)-5,6-dihydropyridi...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	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
Eli Lilly and Co. Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50145347 (1-(2-(4-(6-fluoro-1H-indol-3-yl)-5,6-dihydropyridi...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
Lilly SA Curated by ChEMBL					Assay Description Displacement of [3H]raclopride from dopamine D2 receptor in rat caudate membranes				Bioorg Med Chem Lett 17: 3344-8 (2007) Article DOI: 10.1016/j.bmcl.2007.03.101 BindingDB Entry DOI: 10.7270/Q20V8CG3
Lilly SA Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50145347 (1-(2-(4-(6-fluoro-1H-indol-3-yl)-5,6-dihydropyridi...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56	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
Eli Lilly and Co. Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50145347 (1-(2-(4-(6-fluoro-1H-indol-3-yl)-5,6-dihydropyridi...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Curated by ChEMBL					Assay Description Inhibition constant against 5-HT 1D receptor				J Med Chem 48: 6523-43 (2005) Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9
Organon Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50145347 (1-(2-(4-(6-fluoro-1H-indol-3-yl)-5,6-dihydropyridi...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	203	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly SA Curated by ChEMBL					Assay Description Displacement of [3H]GR125743 from human 5HT1B expressed in LM(tk-) cells				Bioorg Med Chem Lett 17: 3344-8 (2007) Article DOI: 10.1016/j.bmcl.2007.03.101 BindingDB Entry DOI: 10.7270/Q20V8CG3
Lilly SA Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50145347 (1-(2-(4-(6-fluoro-1H-indol-3-yl)-5,6-dihydropyridi...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	281	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Curated by ChEMBL					Assay Description Inhibition constant against 5-HT 1B receptor				J Med Chem 48: 6523-43 (2005) Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9
Organon Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50145347 (1-(2-(4-(6-fluoro-1H-indol-3-yl)-5,6-dihydropyridi...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	281	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
Eli Lilly and Co. Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50145347 (1-(2-(4-(6-fluoro-1H-indol-3-yl)-5,6-dihydropyridi...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against serotonin transporter				J Med Chem 48: 6523-43 (2005) Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9
Organon Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair