BDBM50109053 3-{1-[2-(2,3-Dihydro-benzo[1,4]dioxin-5-yloxy)-ethyl]-1,2,3,6-tetrahydro-pyridin-4-yl}-1H-pyrrolo[2,3-b]pyridine::CHEMBL318738

SMILES: C(CN1CCC(=CC1)c1c[nH]c2ncccc12)Oc1cccc2OCCOc12

InChI Key: InChIKey=KINTWXKYQAVVRH-UHFFFAOYSA-N

Data: 4 KI  1 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 5 hits for monomerid = 50109053   

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
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50109053 (3-{1-[2-(2,3-Dihydro-benzo[1,4]dioxin-5-yloxy)-eth...) Show SMILES C(CN1CCC(=CC1)c1c[nH]c2ncccc12)Oc1cccc2OCCOc12 |c:5| Show InChI InChI=1S/C22H23N3O3/c1-4-19(21-20(5-1)27-13-14-28-21)26-12-11-25-9-6-16(7-10-25)18-15-24-22-17(18)3-2-8-23-22/h1-6,8,15H,7,9-14H2,(H,23,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Laboratories Curated by ChEMBL					Assay Description Affinity of the compound for RB Serotonin transporter was determined in vitro by incubating compound				Bioorg Med Chem Lett 12: 307-10 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2G2M
					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50109053 (3-{1-[2-(2,3-Dihydro-benzo[1,4]dioxin-5-yloxy)-eth...) Show SMILES C(CN1CCC(=CC1)c1c[nH]c2ncccc12)Oc1cccc2OCCOc12 |c:5| Show InChI InChI=1S/C22H23N3O3/c1-4-19(21-20(5-1)27-13-14-28-21)26-12-11-25-9-6-16(7-10-25)18-15-24-22-17(18)3-2-8-23-22/h1-6,8,15H,7,9-14H2,(H,23,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Laboratories Curated by ChEMBL					Assay Description Antagonism of 5-hydroxytryptamine 1A receptor determined in vitro				Bioorg Med Chem Lett 12: 307-10 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2G2M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50109053 (3-{1-[2-(2,3-Dihydro-benzo[1,4]dioxin-5-yloxy)-eth...) Show SMILES C(CN1CCC(=CC1)c1c[nH]c2ncccc12)Oc1cccc2OCCOc12 |c:5| Show InChI InChI=1S/C22H23N3O3/c1-4-19(21-20(5-1)27-13-14-28-21)26-12-11-25-9-6-16(7-10-25)18-15-24-22-17(18)3-2-8-23-22/h1-6,8,15H,7,9-14H2,(H,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity towards Human 5-hydroxytryptamine 1A receptor by the displacement of [3H]-8-OH-DPAT				Bioorg Med Chem Lett 12: 307-10 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2G2M
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50109053 (3-{1-[2-(2,3-Dihydro-benzo[1,4]dioxin-5-yloxy)-eth...) Show SMILES C(CN1CCC(=CC1)c1c[nH]c2ncccc12)Oc1cccc2OCCOc12 |c:5| Show InChI InChI=1S/C22H23N3O3/c1-4-19(21-20(5-1)27-13-14-28-21)26-12-11-25-9-6-16(7-10-25)18-15-24-22-17(18)3-2-8-23-22/h1-6,8,15H,7,9-14H2,(H,23,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	276	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Laboratories Curated by ChEMBL					Assay Description Affinity for HC Serotonin transporter determined in vitro by incubating compound and [3H]-5-HT with human carcinoma (Jar cells), previously treated w...				Bioorg Med Chem Lett 12: 307-10 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2G2M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50109053 (3-{1-[2-(2,3-Dihydro-benzo[1,4]dioxin-5-yloxy)-eth...) Show SMILES C(CN1CCC(=CC1)c1c[nH]c2ncccc12)Oc1cccc2OCCOc12 |c:5| Show InChI InChI=1S/C22H23N3O3/c1-4-19(21-20(5-1)27-13-14-28-21)26-12-11-25-9-6-16(7-10-25)18-15-24-22-17(18)3-2-8-23-22/h1-6,8,15H,7,9-14H2,(H,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	969	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity towards Human 5-hydroxytryptamine 1A receptor by the displacement of [3H]-8-OH-DPAT				Bioorg Med Chem Lett 12: 307-10 (2002) BindingDB Entry DOI: 10.7270/Q2FJ2G2M
					More data for this Ligand-Target Pair