BDBM50209685 CHEMBL226636::cis-(+)-7,8-dimethoxy-3-[4-(3-(4-fluoro)phenyl-2(E)-propen-1-yl)piperazin-1-ylmethyl]-3a,4-dihydro-3H-[1]benzopyrano[4,3-c]isoxazole::cis-(+/-)-7,8-dimethoxy-3-[4-(3-(4-fluoro)phenyl-2(E)-propen-1-yl)piperazin-1-ylmethyl]-3a,4-dihydro-3H-[1]benzopyrano[4,3-c]isoxazole::cis-(-)-7,8-dimethoxy-3-[4-(3-(4-fluoro)phenyl-2(E)-propen-1-yl)piperazin-1-ylmethyl]-3a,4-dihydro-3H-[1]benzopyrano[4,3-c]isoxazole
SMILES: COc1cc2OCC3C(CN4CCN(C\C=C\c5ccc(F)cc5)CC4)ON=C3c2cc1OC
InChI Key: InChIKey=CVKQUGPVDVFRAT-ONEGZZNKSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50209685 (CHEMBL226636 | cis-(+)-7,8-dimethoxy-3-[4-(3-(4-fl...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL | Assay Description Displacement of [3H]paroxetine from human cloned 5HTT receptor transfected in CHO cells | Bioorg Med Chem 15: 3649-60 (2007) Article DOI: 10.1016/j.bmc.2007.03.053 BindingDB Entry DOI: 10.7270/Q2BZ66VB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50209685 (CHEMBL226636 | cis-(+)-7,8-dimethoxy-3-[4-(3-(4-fl...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL | Assay Description Displacement of [3H]paroxetine from human cloned 5HTT receptor transfected in CHO cells | Bioorg Med Chem 15: 3649-60 (2007) Article DOI: 10.1016/j.bmc.2007.03.053 BindingDB Entry DOI: 10.7270/Q2BZ66VB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-2C adrenergic receptor (Homo sapiens (Human)) | BDBM50209685 (CHEMBL226636 | cis-(+)-7,8-dimethoxy-3-[4-(3-(4-fl...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL | Assay Description Displacement of [3H]rawolscine from human cloned adrenergic Alpha-2C receptor transfected in CHO cells | Bioorg Med Chem 15: 3649-60 (2007) Article DOI: 10.1016/j.bmc.2007.03.053 BindingDB Entry DOI: 10.7270/Q2BZ66VB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-2C adrenergic receptor (Homo sapiens (Human)) | BDBM50209685 (CHEMBL226636 | cis-(+)-7,8-dimethoxy-3-[4-(3-(4-fl...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL | Assay Description Displacement of [3H]rawolscine from human cloned adrenergic Alpha-2C receptor transfected in CHO cells | Bioorg Med Chem 15: 3649-60 (2007) Article DOI: 10.1016/j.bmc.2007.03.053 BindingDB Entry DOI: 10.7270/Q2BZ66VB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-2A adrenergic receptor (Homo sapiens (Human)) | BDBM50209685 (CHEMBL226636 | cis-(+)-7,8-dimethoxy-3-[4-(3-(4-fl...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 117 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL | Assay Description Displacement of [3H]rawolscine from human cloned adrenergic alpha2A receptor transfected in CHO cells | Bioorg Med Chem 15: 3649-60 (2007) Article DOI: 10.1016/j.bmc.2007.03.053 BindingDB Entry DOI: 10.7270/Q2BZ66VB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-2A adrenergic receptor (Homo sapiens (Human)) | BDBM50209685 (CHEMBL226636 | cis-(+)-7,8-dimethoxy-3-[4-(3-(4-fl...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 117 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL | Assay Description Displacement of [3H]rawolscine from human cloned adrenergic alpha2A receptor transfected in CHO cells | Bioorg Med Chem 15: 3649-60 (2007) Article DOI: 10.1016/j.bmc.2007.03.053 BindingDB Entry DOI: 10.7270/Q2BZ66VB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-2B adrenergic receptor (Homo sapiens (Human)) | BDBM50209685 (CHEMBL226636 | cis-(+)-7,8-dimethoxy-3-[4-(3-(4-fl...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 162 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL | Assay Description Displacement of [3H]rawolscine from human cloned adrenergic alpha-2B receptor transfected in CHO cells | Bioorg Med Chem 15: 3649-60 (2007) Article DOI: 10.1016/j.bmc.2007.03.053 BindingDB Entry DOI: 10.7270/Q2BZ66VB | |||||||||||
More data for this Ligand-Target Pair |