BDBM50108701 1'-[2-(2,4-Difluorophenyl)ethyl]-3,4-dihydrospiro[2H-1-benzothiopyran-2,4'-piperidine]-1,1-dioxide::1-[2-(2,4-difluorophenyl)ethyl]-3',4'-dihydrospiro[piperidine-4,2'-thiochromene] 1',1'-dioxide::CHEMBL146595
SMILES: Fc1ccc(CCN2CCC3(CC2)CCc2ccccc2S3(=O)=O)c(F)c1
InChI Key: InChIKey=MWKPULBVVRSUJC-UHFFFAOYSA-N
Data: 6 KI
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 |
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5-hydroxytryptamine receptor 2A (Homo sapiens (Human)) | BDBM50108701 (1'-[2-(2,4-Difluorophenyl)ethyl]-3,4-dihydrospiro[...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | 0.410 | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat)) | BDBM50108701 (1'-[2-(2,4-Difluorophenyl)ethyl]-3,4-dihydrospiro[...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | 0.610 | 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 rat 5-hydroxytryptamine 2A receptor stably expressed in CHO cells | J Med Chem 45: 492-503 (2002) BindingDB Entry DOI: 10.7270/Q2KH0P27 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2C (Homo sapiens (Human)) | BDBM50108701 (1'-[2-(2,4-Difluorophenyl)ethyl]-3,4-dihydrospiro[...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | 41 | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM50108701 (1'-[2-(2,4-Difluorophenyl)ethyl]-3,4-dihydrospiro[...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 570 | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM50108701 (1'-[2-(2,4-Difluorophenyl)ethyl]-3,4-dihydrospiro[...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | 570 | 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 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50108701 (1'-[2-(2,4-Difluorophenyl)ethyl]-3,4-dihydrospiro[...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | 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 | |||||||||||
More data for this Ligand-Target Pair |