BDBM50309343 8-methyl-2,3,4,5,5a,6-hexahydro-[1,4]diazepino[1,7-a]quinazolin-7(1H)-one::CHEMBL590580
SMILES: Cc1cccc2N3CCNCCC3NC(=O)c12
InChI Key: InChIKey=IDTOIAGIXRXDMI-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
5-hydroxytryptamine receptor 2C (Homo sapiens (Human)) | BDBM50309343 (8-methyl-2,3,4,5,5a,6-hexahydro-[1,4]diazepino[1,7...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co Curated by ChEMBL | Assay Description Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK293E cells | Bioorg Med Chem Lett 20: 1128-33 (2010) Article DOI: 10.1016/j.bmcl.2009.12.014 BindingDB Entry DOI: 10.7270/Q2K074DK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2B (Homo sapiens (Human)) | BDBM50309343 (8-methyl-2,3,4,5,5a,6-hexahydro-[1,4]diazepino[1,7...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co Curated by ChEMBL | Assay Description Displacement of [125I]LSD from human recombinant 5HT2B receptor expressed in HEK293E cells | Bioorg Med Chem Lett 20: 1128-33 (2010) Article DOI: 10.1016/j.bmcl.2009.12.014 BindingDB Entry DOI: 10.7270/Q2K074DK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2A (Homo sapiens (Human)) | BDBM50309343 (8-methyl-2,3,4,5,5a,6-hexahydro-[1,4]diazepino[1,7...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 141 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co Curated by ChEMBL | Assay Description Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293E cells | Bioorg Med Chem Lett 20: 1128-33 (2010) Article DOI: 10.1016/j.bmcl.2009.12.014 BindingDB Entry DOI: 10.7270/Q2K074DK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2C (Homo sapiens (Human)) | BDBM50309343 (8-methyl-2,3,4,5,5a,6-hexahydro-[1,4]diazepino[1,7...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co Curated by ChEMBL | Assay Description Agonist activity at human recombinant 5HT2C receptor expressed in HEK293E cells by FLIPR assay | Bioorg Med Chem Lett 20: 1128-33 (2010) Article DOI: 10.1016/j.bmcl.2009.12.014 BindingDB Entry DOI: 10.7270/Q2K074DK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2A (Homo sapiens (Human)) | BDBM50309343 (8-methyl-2,3,4,5,5a,6-hexahydro-[1,4]diazepino[1,7...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 70 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co Curated by ChEMBL | Assay Description Agonist activity at human recombinant 5HT2A receptor expressed in HEK293E cells by FLIPR assay | Bioorg Med Chem Lett 20: 1128-33 (2010) Article DOI: 10.1016/j.bmcl.2009.12.014 BindingDB Entry DOI: 10.7270/Q2K074DK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serotonin receptor 2a and 2c (5HT2A and 5HT2C) (Rattus norvegicus (Rat)) | BDBM50309343 (8-methyl-2,3,4,5,5a,6-hexahydro-[1,4]diazepino[1,7...) | KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 61 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co Curated by ChEMBL | Assay Description Agonist activity at 5HT2C receptor in rat fundus | Bioorg Med Chem Lett 20: 1128-33 (2010) Article DOI: 10.1016/j.bmcl.2009.12.014 BindingDB Entry DOI: 10.7270/Q2K074DK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2B (Homo sapiens (Human)) | BDBM50309343 (8-methyl-2,3,4,5,5a,6-hexahydro-[1,4]diazepino[1,7...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 61 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co Curated by ChEMBL | Assay Description Agonist activity at human recombinant 5HT2B receptor expressed in HEK293E cells by FLIPR assay | Bioorg Med Chem Lett 20: 1128-33 (2010) Article DOI: 10.1016/j.bmcl.2009.12.014 BindingDB Entry DOI: 10.7270/Q2K074DK | |||||||||||
More data for this Ligand-Target Pair |