BindingDB PrimarySearch

BDBM50108699 1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfonyl)piperidine::1-(2-(2,4-Difluorophenyl)ethyl)-4-(4-fluorophenylsulfonyl)piperidine::1-[2-(2,4-Difluoro-phenyl)-ethyl]-4-(4-fluoro-benzenesulfonyl)-piperidine::CHEMBL358075

SMILES: Fc1ccc(cc1)S(=O)(=O)C1CCN(CCc2ccc(F)cc2F)CC1

InChI Key: InChIKey=RFHWREWMZPGWCN-UHFFFAOYSA-N

Data: 16 KI

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50108699
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
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50108699 (1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfony...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Binding affinity for displacement of [3H]ketanserin to human 5-hydroxytryptamine 2A receptor stably expressed in CHO cells				J Med Chem 45: 492-503 (2002) BindingDB Entry DOI: 10.7270/Q2KH0P27
Merck Sharp and Dohme Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50108699 (1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfony...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Curated by ChEMBL					Assay Description Displacement of [3H]- ketanserin from human 5HT2A receptor expressed CHO cells				Bioorg Med Chem Lett 20: 3708-12 (2010) Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89
Merck Sharp& Dohme Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50108699 (1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfony...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Binding affinity against human 5-hydroxytryptamine 2A receptor				Bioorg Med Chem Lett 15: 3665-9 (2005) Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P
Merck Sharp and Dohme Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50108699 (1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfony...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Binding affinity to human 5HT2A				Bioorg Med Chem Lett 16: 3201-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.050 BindingDB Entry DOI: 10.7270/Q20K2867
Merck Sharp & Dohme Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50108699 (1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfony...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Curated by ChEMBL					Assay Description Displacement of [3H]-mesulergine from human 5HT2C receptor expressed CHO cells				Bioorg Med Chem Lett 20: 3708-12 (2010) Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89
Merck Sharp& Dohme Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50108699 (1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfony...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Binding affinity against human 5-hydroxytryptamine 2c receptor				Bioorg Med Chem Lett 15: 3665-9 (2005) Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P
Merck Sharp and Dohme Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50108699 (1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfony...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Binding affinity to human 5HT2C				Bioorg Med Chem Lett 16: 3201-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.050 BindingDB Entry DOI: 10.7270/Q20K2867
Merck Sharp & Dohme Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50108699 (1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfony...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Binding affinity for displacement of [3H]mesulergine to human 5-hydroxytryptamine 2C receptor stably expressed in CHO cells				J Med Chem 45: 492-503 (2002) BindingDB Entry DOI: 10.7270/Q2KH0P27
Merck Sharp and Dohme Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50108699 (1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfony...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Binding affinity against human IKr channel				Bioorg Med Chem Lett 15: 3665-9 (2005) Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P
Merck Sharp and Dohme Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50108699 (1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfony...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide to HEK cells stably expressing hERG voltage-gated IKr potassium channel Kv11.1				J Med Chem 45: 492-503 (2002) BindingDB Entry DOI: 10.7270/Q2KH0P27
Merck Sharp and Dohme Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50108699 (1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfony...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp& Dohme Curated by ChEMBL					Assay Description Displacement of [3H]-dofetilide from human ERG receptor expressed HEK cells				Bioorg Med Chem Lett 20: 3708-12 (2010) Article DOI: 10.1016/j.bmcl.2010.04.090 BindingDB Entry DOI: 10.7270/Q2RX9C89
Merck Sharp& Dohme Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50108699 (1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfony...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG channel				J Med Chem 52: 4266-76 (2009) Article DOI: 10.1021/jm900002x BindingDB Entry DOI: 10.7270/Q2MK6DT2
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50108699 (1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfony...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Binding affinity to human IKr				Bioorg Med Chem Lett 16: 3201-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.050 BindingDB Entry DOI: 10.7270/Q20K2867
Merck Sharp & Dohme Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50108699 (1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfony...) 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	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Curated by ChEMBL					Assay Description Binding affinity to human D2 receptor				Bioorg Med Chem Lett 16: 3201-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.050 BindingDB Entry DOI: 10.7270/Q20K2867
Merck Sharp & Dohme Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50108699 (1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfony...) 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	>1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Binding affinity against human Dopamine receptor D2				Bioorg Med Chem Lett 15: 3665-9 (2005) Article DOI: 10.1016/j.bmcl.2005.05.104 BindingDB Entry DOI: 10.7270/Q2HM580P
Merck Sharp and Dohme Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50108699 (1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfony...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Binding affinity for displacement of [3H]spiperone to human dopamine D2 (hD2) receptors stably expressed in CHO cells				J Med Chem 45: 492-503 (2002) BindingDB Entry DOI: 10.7270/Q2KH0P27
Merck Sharp and Dohme Curated by ChEMBL					More data for this Ligand-Target Pair