BDBM31037 1-(2,4-dimethoxybenzyl)-4-(2-fluorophenyl)piperazine::1-[(2,4-dimethoxyphenyl)methyl]-4-(2-fluorophenyl)piperazine::MLS000105278::SMR000102159::cid_2173523

SMILES: COc1ccc(CN2CCN(CC2)c2ccccc2F)c(OC)c1

InChI Key: InChIKey=FTXHIWXQEQZCKC-UHFFFAOYSA-N

Data: 3 IC50  3 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 6 hits for monomerid = 31037   

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))	BDBM31037 (1-(2,4-dimethoxybenzyl)-4-(2-fluorophenyl)piperazi...) Show SMILES COc1ccc(CN2CCN(CC2)c2ccccc2F)c(OC)c1 Show InChI InChI=1S/C19H23FN2O2/c1-23-16-8-7-15(19(13-16)24-2)14-21-9-11-22(12-10-21)18-6-4-3-5-17(18)20/h3-8,13H,9-12,14H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.00E+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))	BDBM31037 (1-(2,4-dimethoxybenzyl)-4-(2-fluorophenyl)piperazi...) Show SMILES COc1ccc(CN2CCN(CC2)c2ccccc2F)c(OC)c1 Show InChI InChI=1S/C19H23FN2O2/c1-23-16-8-7-15(19(13-16)24-2)14-21-9-11-22(12-10-21)18-6-4-3-5-17(18)20/h3-8,13H,9-12,14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.00E+4	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
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM31037 (1-(2,4-dimethoxybenzyl)-4-(2-fluorophenyl)piperazi...) Show SMILES COc1ccc(CN2CCN(CC2)c2ccccc2F)c(OC)c1 Show InChI InChI=1S/C19H23FN2O2/c1-23-16-8-7-15(19(13-16)24-2)14-21-9-11-22(12-10-21)18-6-4-3-5-17(18)20/h3-8,13H,9-12,14H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	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
mevalonate kinase (Streptococcus pneumoniae D39)	BDBM31037 (1-(2,4-dimethoxybenzyl)-4-(2-fluorophenyl)piperazi...) Show SMILES COc1ccc(CN2CCN(CC2)c2ccccc2F)c(OC)c1 Show InChI InChI=1S/C19H23FN2O2/c1-23-16-8-7-15(19(13-16)24-2)14-21-9-11-22(12-10-21)18-6-4-3-5-17(18)20/h3-8,13H,9-12,14H2,1-2H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q27P8WSS
					More data for this Ligand-Target Pair
mevalonate kinase (Streptococcus pneumoniae D39)	BDBM31037 (1-(2,4-dimethoxybenzyl)-4-(2-fluorophenyl)piperazi...) Show SMILES COc1ccc(CN2CCN(CC2)c2ccccc2F)c(OC)c1 Show InChI InChI=1S/C19H23FN2O2/c1-23-16-8-7-15(19(13-16)24-2)14-21-9-11-22(12-10-21)18-6-4-3-5-17(18)20/h3-8,13H,9-12,14H2,1-2H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.54E+5	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q23X852V
					More data for this Ligand-Target Pair
mevalonate kinase (Streptococcus pneumoniae D39)	BDBM31037 (1-(2,4-dimethoxybenzyl)-4-(2-fluorophenyl)piperazi...) Show SMILES COc1ccc(CN2CCN(CC2)c2ccccc2F)c(OC)c1 Show InChI InChI=1S/C19H23FN2O2/c1-23-16-8-7-15(19(13-16)24-2)14-21-9-11-22(12-10-21)18-6-4-3-5-17(18)20/h3-8,13H,9-12,14H2,1-2H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2CF9NG2
					More data for this Ligand-Target Pair