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BDBM50064786 (S)-1-(2-(4-(4-methoxyphenyl)piperazin-1-yl)ethyl)-N-methyl-3,4-dihydro-1H-isochromene-6-carboxamide::(S)-1-{2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-isochroman-6-carboxylic acid methylamide::CHEMBL71838
SMILES: CNC(=O)c1ccc2[C@H](CCN3CCN(CC3)c3ccc(OC)cc3)OCCc2c1
InChI Key: InChIKey=UDLSEQDYARNKTL-QHCPKHFHSA-N
Data: 7 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D (Homo sapiens (Human)) | BDBM50064786 ((S)-1-(2-(4-(4-methoxyphenyl)piperazin-1-yl)ethyl)...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet  | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia & Upjohn Curated by ChEMBL | Assay Description The compound was tested for CNS binding affinity towards 5-hydroxytryptamine 1D receptor from cloned gorilla membranes expressed in cultured HEK 293 ... | J Med Chem 41: 2180-3 (1998) Article DOI: 10.1021/jm980137o BindingDB Entry DOI: 10.7270/Q2NV9HCP | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 1D (Homo sapiens (Human)) | BDBM50064786 ((S)-1-(2-(4-(4-methoxyphenyl)piperazin-1-yl)ethyl)...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc. Curated by ChEMBL | Assay Description Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting | J Med Chem 51: 3609-16 (2008) Article DOI: 10.1021/jm7011722 BindingDB Entry DOI: 10.7270/Q26T0MDK | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 2A (Homo sapiens (Human)) | BDBM50064786 ((S)-1-(2-(4-(4-methoxyphenyl)piperazin-1-yl)ethyl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 168 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia & Upjohn Curated by ChEMBL | Assay Description The compound was tested for CNS binding affinity towards 5-hydroxytryptamine 2A receptor from cloned Human membranes | J Med Chem 41: 2180-3 (1998) Article DOI: 10.1021/jm980137o BindingDB Entry DOI: 10.7270/Q2NV9HCP | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50064786 ((S)-1-(2-(4-(4-methoxyphenyl)piperazin-1-yl)ethyl)...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 241 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia & Upjohn Curated by ChEMBL | Assay Description The compound was tested for CNS binding affinity towards Dopamine receptor D2 from cloned Human membranes. | J Med Chem 41: 2180-3 (1998) Article DOI: 10.1021/jm980137o BindingDB Entry DOI: 10.7270/Q2NV9HCP | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50064786 ((S)-1-(2-(4-(4-methoxyphenyl)piperazin-1-yl)ethyl)...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia & Upjohn Curated by ChEMBL | Assay Description The compound was tested for CNS binding affinity towards 5-hydroxytryptamine 1A receptor from cloned Human membranes. | J Med Chem 41: 2180-3 (1998) Article DOI: 10.1021/jm980137o BindingDB Entry DOI: 10.7270/Q2NV9HCP | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| D(4) dopamine receptor (Homo sapiens (Human)) | BDBM50064786 ((S)-1-(2-(4-(4-methoxyphenyl)piperazin-1-yl)ethyl)...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | >3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia & Upjohn Curated by ChEMBL | Assay Description The compound was tested for CNS binding affinity towards Dopamine receptor D4 from cloned Human membranes. | J Med Chem 41: 2180-3 (1998) Article DOI: 10.1021/jm980137o BindingDB Entry DOI: 10.7270/Q2NV9HCP | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 1B (Gorilla gorilla gorilla) | BDBM50064786 ((S)-1-(2-(4-(4-methoxyphenyl)piperazin-1-yl)ethyl)...) | PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 5.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia & Upjohn Curated by ChEMBL | Assay Description The compound was tested for CNS binding affinity towards 5-hydroxytryptamine 1B receptor from cloned gorilla membranes expressed in cultured HEK 293 ... | J Med Chem 41: 2180-3 (1998) Article DOI: 10.1021/jm980137o BindingDB Entry DOI: 10.7270/Q2NV9HCP | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
