BDBM50400899 CHEMBL2204363
SMILES: Cc1ccc(Sc2ccccc2N2CCNCC2)c(Cl)c1
InChI Key: InChIKey=IONCWLLKDMISKP-UHFFFAOYSA-N
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 3A (Homo sapiens (Human)) | BDBM50400899 (CHEMBL2204363) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S Curated by ChEMBL | Assay Description Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by filter binding assay | J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50400899 (CHEMBL2204363) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S Curated by ChEMBL | Assay Description Displacement of [3H]5-carboxamidotryptamine to human 5HT1A expressed in HEK293 cells by filter binding assay | J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50400899 (CHEMBL2204363) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S Curated by ChEMBL | Assay Description Inhibition of human recombinant CYP3A4 using resorufin benzyl ether after 30 mins by fluorescence spectrophotometric analysis | J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50400899 (CHEMBL2204363) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S Curated by ChEMBL | Assay Description Inhibition of human recombinant CYP2D6 using 3-[2-(N,N-diethyl-N-methylamino)ethyl]-7-methoxy- 4-methylcoumarin after 45 mins by fluorescence spectro... | J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50400899 (CHEMBL2204363) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S Curated by ChEMBL | Assay Description Inhibition of human recombinant CYP2C9 using dibenzylfluorescein after 45 mins by fluorescence spectrophotometric analysis | J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50400899 (CHEMBL2204363) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S Curated by ChEMBL | Assay Description Inhibition of human recombinant CYP1A2 using 7-ethoxy-3-cyanocoumarin after 28 mins by fluorescence spectrophotometric analysis | J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Rattus norvegicus (rat)) | BDBM50400899 (CHEMBL2204363) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S Curated by ChEMBL | Assay Description Inhibition of DAT-mediated [3H]DA in rat synaptomsomes by scintillation counting | J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Rattus norvegicus (rat)) | BDBM50400899 (CHEMBL2204363) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 9.70 | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S Curated by ChEMBL | Assay Description Inhibition of SERT-mediated [3H]5HT uptake in rat synaptosomes by scintillation counting | J Med Chem 54: 3206-21 (2011) Article DOI: 10.1021/jm101459g BindingDB Entry DOI: 10.7270/Q2W37XFC | |||||||||||
More data for this Ligand-Target Pair |