BindingDB PrimarySearch

BDBM50169842 1-(2,4-difluorophenethyl)-4-fluoro-4-(4-fluorophenylsulfonyl)piperidine::1-[2-(2,4-Difluoro-phenyl)-ethyl]-4-fluoro-4-(4-fluoro-benzenesulfonyl)-piperidine::CHEMBL175832

SMILES: Fc1ccc(cc1)S(=O)(=O)C1(F)CCN(CCc2ccc(F)cc2F)CC1

InChI Key: InChIKey=VDURQHWFSXZAER-UHFFFAOYSA-N

Data: 12 KI

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50169842
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))	BDBM50169842 (1-(2,4-difluorophenethyl)-4-fluoro-4-(4-fluorophen...) 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	0.390	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))	BDBM50169842 (1-(2,4-difluorophenethyl)-4-fluoro-4-(4-fluorophen...) 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	0.390	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]ketanserin from human 5HT2A receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 2643-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.098 BindingDB Entry DOI: 10.7270/Q2F47PZH
Merck Sharp and Dohme Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50169842 (1-(2,4-difluorophenethyl)-4-fluoro-4-(4-fluorophen...) 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	0.390	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 (Rattus norvegicus (rat))	BDBM50169842 (1-(2,4-difluorophenethyl)-4-fluoro-4-(4-fluorophen...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.630	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 rat 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 2C (Homo sapiens (Human))	BDBM50169842 (1-(2,4-difluorophenethyl)-4-fluoro-4-(4-fluorophen...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	69	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))	BDBM50169842 (1-(2,4-difluorophenethyl)-4-fluoro-4-(4-fluorophen...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	176	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))	BDBM50169842 (1-(2,4-difluorophenethyl)-4-fluoro-4-(4-fluorophen...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	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]mesurgeline from human 5HT2C receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 2643-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.098 BindingDB Entry DOI: 10.7270/Q2F47PZH
Merck Sharp and Dohme Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50169842 (1-(2,4-difluorophenethyl)-4-fluoro-4-(4-fluorophen...) 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	310	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]spiperone from human dopamine D2 receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 2643-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.098 BindingDB Entry DOI: 10.7270/Q2F47PZH
Merck Sharp and Dohme Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50169842 (1-(2,4-difluorophenethyl)-4-fluoro-4-(4-fluorophen...) 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	313	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50169842 (1-(2,4-difluorophenethyl)-4-fluoro-4-(4-fluorophen...) 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	5.56E+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 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))	BDBM50169842 (1-(2,4-difluorophenethyl)-4-fluoro-4-(4-fluorophen...) 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	5.56E+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 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))	BDBM50169842 (1-(2,4-difluorophenethyl)-4-fluoro-4-(4-fluorophen...) 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	5.60E+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 Displacement of [3H]dofetilide from hERG expressed in HEK cells				Bioorg Med Chem Lett 17: 2643-8 (2007) Article DOI: 10.1016/j.bmcl.2007.01.098 BindingDB Entry DOI: 10.7270/Q2F47PZH
Merck Sharp and Dohme Curated by ChEMBL					More data for this Ligand-Target Pair