BDBM30811 1-methyl-3-phenyl-2,5,6,7,8,9-hexahydroimidaz[1,2-a]azepin-1-ium-3-ol;iodide::1-methyl-3-phenyl-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-1-ium-3-ol;iodide::MLS000048587::SMR000060502::cid_2998813

SMILES: CN1CC(O)(c2ccccc2)[N+]2=C1CCCCC2

InChI Key: InChIKey=SYVAXBZGMNXKSU-UHFFFAOYSA-N

Data: 3 IC50  4 EC50

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 7 hits for monomerid = 30811   

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 1A (Homo sapiens (Human))	BDBM30811 (1-methyl-3-phenyl-2,5,6,7,8,9-hexahydroimidaz[1,2-...) Show SMILES CN1CC(O)(c2ccccc2)[N+]2=C1CCCCC2 |c:12| Show InChI InChI=1S/C15H21N2O/c1-16-12-15(18,13-8-4-2-5-9-13)17-11-7-3-6-10-14(16)17/h2,4-5,8-9,18H,3,6-7,10-12H2,1H3/q+1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.38E+4	n/a	n/a	7.4	23
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2WW7G03
					More data for this Ligand-Target Pair
Serotonin (5-HT) receptor (Homo sapiens (Human))	BDBM30811 (1-methyl-3-phenyl-2,5,6,7,8,9-hexahydroimidaz[1,2-...) Show SMILES CN1CC(O)(c2ccccc2)[N+]2=C1CCCCC2 |c:12| Show InChI InChI=1S/C15H21N2O/c1-16-12-15(18,13-8-4-2-5-9-13)17-11-7-3-6-10-14(16)17/h2,4-5,8-9,18H,3,6-7,10-12H2,1H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.33E+3	n/a	n/a	7.4	23
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2Q52MZM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM30811 (1-methyl-3-phenyl-2,5,6,7,8,9-hexahydroimidaz[1,2-...) Show SMILES CN1CC(O)(c2ccccc2)[N+]2=C1CCCCC2 |c:12| Show InChI InChI=1S/C15H21N2O/c1-16-12-15(18,13-8-4-2-5-9-13)17-11-7-3-6-10-14(16)17/h2,4-5,8-9,18H,3,6-7,10-12H2,1H3/q+1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	9.90E+4	n/a	n/a	7.4	23
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q21N7ZG0
					More data for this Ligand-Target Pair
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1 (Homo sapiens (Human))	BDBM30811 (1-methyl-3-phenyl-2,5,6,7,8,9-hexahydroimidaz[1,2-...) Show SMILES CN1CC(O)(c2ccccc2)[N+]2=C1CCCCC2 |c:12| Show InChI InChI=1S/C15H21N2O/c1-16-12-15(18,13-8-4-2-5-9-13)17-11-7-3-6-10-14(16)17/h2,4-5,8-9,18H,3,6-7,10-12H2,1H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	7.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2V986KM
					More data for this Ligand-Target Pair
poly(A) binding protein, cytoplasmic 1 (Homo sapiens (Human))	BDBM30811 (1-methyl-3-phenyl-2,5,6,7,8,9-hexahydroimidaz[1,2-...) Show SMILES CN1CC(O)(c2ccccc2)[N+]2=C1CCCCC2 |c:12| Show InChI InChI=1S/C15H21N2O/c1-16-12-15(18,13-8-4-2-5-9-13)17-11-7-3-6-10-14(16)17/h2,4-5,8-9,18H,3,6-7,10-12H2,1H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	3.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2ZC819K
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4H (Homo sapiens (Human))	BDBM30811 (1-methyl-3-phenyl-2,5,6,7,8,9-hexahydroimidaz[1,2-...) Show SMILES CN1CC(O)(c2ccccc2)[N+]2=C1CCCCC2 |c:12| Show InChI InChI=1S/C15H21N2O/c1-16-12-15(18,13-8-4-2-5-9-13)17-11-7-3-6-10-14(16)17/h2,4-5,8-9,18H,3,6-7,10-12H2,1H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	7.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q26W98HW
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM30811 (1-methyl-3-phenyl-2,5,6,7,8,9-hexahydroimidaz[1,2-...) Show SMILES CN1CC(O)(c2ccccc2)[N+]2=C1CCCCC2 |c:12| Show InChI InChI=1S/C15H21N2O/c1-16-12-15(18,13-8-4-2-5-9-13)17-11-7-3-6-10-14(16)17/h2,4-5,8-9,18H,3,6-7,10-12H2,1H3/q+1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description External Assay ID: S1P3_EC50_CS_5HT1e_Agonist Name: S1P3 Dose Response Assay Counterscreen for 5-Hydroxytryptamine(Serotonin) Receptor Subtype 1E ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2PN941W
					More data for this Ligand-Target Pair