BDBM50134708 CHEMBL3746713

SMILES: CN(C1CCN(CCOc2ccccc2-c2ccccc2)CC1)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=BGYJOXOWJPLJPB-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50134708   

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 2A (Homo sapiens (Human))	BDBM50134708 (CHEMBL3746713) Show SMILES CN(C1CCN(CCOc2ccccc2-c2ccccc2)CC1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C26H30N2O3S/c1-27(32(29,30)24-12-6-3-7-13-24)23-16-18-28(19-17-23)20-21-31-26-15-9-8-14-25(26)22-10-4-2-5-11-22/h2-15,23H,16-21H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]-ketanserin from human 5-HT2A receptor expressed in HEK293 cells incubated for 1 hr				Bioorg Med Chem 24: 130-9 (2016) BindingDB Entry DOI: 10.7270/Q2W95C1P
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50134708 (CHEMBL3746713) Show SMILES CN(C1CCN(CCOc2ccccc2-c2ccccc2)CC1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C26H30N2O3S/c1-27(32(29,30)24-12-6-3-7-13-24)23-16-18-28(19-17-23)20-21-31-26-15-9-8-14-25(26)22-10-4-2-5-11-22/h2-15,23H,16-21H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]-Raclopride from human dopamine D2L receptor expressed in HEK293 cells incubated for 1 hr				Bioorg Med Chem 24: 130-9 (2016) BindingDB Entry DOI: 10.7270/Q2W95C1P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50134708 (CHEMBL3746713) Show SMILES CN(C1CCN(CCOc2ccccc2-c2ccccc2)CC1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C26H30N2O3S/c1-27(32(29,30)24-12-6-3-7-13-24)23-16-18-28(19-17-23)20-21-31-26-15-9-8-14-25(26)22-10-4-2-5-11-22/h2-15,23H,16-21H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells incubated for 1 hr				Bioorg Med Chem 24: 130-9 (2016) BindingDB Entry DOI: 10.7270/Q2W95C1P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50134708 (CHEMBL3746713) Show SMILES CN(C1CCN(CCOc2ccccc2-c2ccccc2)CC1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C26H30N2O3S/c1-27(32(29,30)24-12-6-3-7-13-24)23-16-18-28(19-17-23)20-21-31-26-15-9-8-14-25(26)22-10-4-2-5-11-22/h2-15,23H,16-21H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]-5-CT from human 5-HT7B receptor expressed in HEK293 cells incubated for 1 hr				Bioorg Med Chem 24: 130-9 (2016) BindingDB Entry DOI: 10.7270/Q2W95C1P
					More data for this Ligand-Target Pair