BDBM50098549 (6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl)-benzonitrile::(6aR,aS)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl)-benzonitrile::3-Methyl-2-((R)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl)-benzonitrile::CHEMBL28056
SMILES: CN1CCc2cccc-3c2[C@H]1Cc1cccc(-c2c(C)cccc2C#N)c-31
InChI Key: InChIKey=APEZAWGOFKUHCA-JOCHJYFZSA-N
Data: 21 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 7 (Homo sapiens (Human)) | BDBM50098549 ((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NPS Pharmaceuticals Inc. Curated by ChEMBL | Assay Description Binding affinity towards human 5-hydroxytryptamine 7 receptor on HEK293 cells using radioligand [3H]-LSD | Bioorg Med Chem Lett 12: 2451-4 (2002) BindingDB Entry DOI: 10.7270/Q25T3JTZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serotonin (5-HT) receptor (Rattus norvegicus (rat)) | BDBM50098549 ((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 3.79 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Displacement of [3H]-5-HT from rat 5-hydroxytryptamine 7 receptor expressed in CHO cells | J Med Chem 44: 1337-40 (2001) BindingDB Entry DOI: 10.7270/Q23X85WM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serotonin (5-HT) receptor (Rattus norvegicus (rat)) | BDBM50098549 ((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.79 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition of [3H]-5-HT binding to rat 5-hydroxytryptamine 7 receptor | J Med Chem 47: 3927-30 (2004) Article DOI: 10.1021/jm0498102 BindingDB Entry DOI: 10.7270/Q2FQ9W2Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 7 (Homo sapiens (Human)) | BDBM50098549 ((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University Curated by ChEMBL | Assay Description Binding affinity towards human 5-hydroxytryptamine 7 receptor | J Med Chem 46: 2795-812 (2003) Article DOI: 10.1021/jm030030n BindingDB Entry DOI: 10.7270/Q2M0465F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Rattus norvegicus (rat)) | BDBM50098549 ((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Displacement of [3H]5-HT from rat SERT | J Med Chem 50: 171-81 (2007) Article DOI: 10.1021/jm060959i BindingDB Entry DOI: 10.7270/Q22J6CPJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 7 (Homo sapiens (Human)) | BDBM50098549 ((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University Curated by ChEMBL | Assay Description Binding affinity towards human 5-hydroxytryptamine 7 receptor | J Med Chem 46: 2795-812 (2003) Article DOI: 10.1021/jm030030n BindingDB Entry DOI: 10.7270/Q2M0465F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 7 (Homo sapiens (Human)) | BDBM50098549 ((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
City University of New York Curated by ChEMBL | Assay Description Displacement of [3H]-LSD from human 5-HT7 receptor expresssed in stable HEK cell membrane incubated for 90 mins by microbeta counting method | Bioorg Med Chem 28: (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serotonin (5-HT) receptor (Rattus norvegicus (rat)) | BDBM50098549 ((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Complutense Curated by ChEMBL | Assay Description Binding affinity towards cloned rat 5-hydroxytryptamine 7 receptor was determined using [3H]5-HT as radioligand | J Med Chem 46: 5638-50 (2003) Article DOI: 10.1021/jm030841r BindingDB Entry DOI: 10.7270/Q29W0J74 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serotonin (5-HT) receptor (Rattus norvegicus (rat)) | BDBM50098549 ((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 20.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Displacement of [3H]-5-HT from rat 5-hydroxytryptamine 7 receptor expressed in CHO cells | J Med Chem 44: 1337-40 (2001) BindingDB Entry DOI: 10.7270/Q23X85WM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Rattus norvegicus (rat)) | BDBM50098549 ((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Displacement of [3H]5-HT from rat SERT | J Med Chem 50: 171-81 (2007) Article DOI: 10.1021/jm060959i BindingDB Entry DOI: 10.7270/Q22J6CPJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat)) | BDBM50098549 ((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Displacement of [3H]8-OH-DPAT from rat 5HT1A receptor | J Med Chem 50: 171-81 (2007) Article DOI: 10.1021/jm060959i BindingDB Entry DOI: 10.7270/Q22J6CPJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50098549 ((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 142 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Displacement of [3H]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells | J Med Chem 44: 1337-40 (2001) BindingDB Entry DOI: 10.7270/Q23X85WM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat)) | BDBM50098549 ((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 142 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition of [3H]-8-OH-DPAT binding to rat 5-hydroxytryptamine 1A receptor | J Med Chem 47: 3927-30 (2004) Article DOI: 10.1021/jm0498102 BindingDB Entry DOI: 10.7270/Q2FQ9W2Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50098549 ((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 142 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
City University of New York Curated by ChEMBL | Assay Description Displacement of [3H]-WAY100635 from human 5-HT1A receptor expresssed in stable CHO cell membrane incubated for 90 mins by microbeta counting method | Bioorg Med Chem 28: (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50098549 ((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 498 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Displacement of [3H]-Raclopride from human dopamine receptor D2A expressed in mouse Ltk cells | J Med Chem 44: 1337-40 (2001) BindingDB Entry DOI: 10.7270/Q23X85WM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM50098549 ((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 498 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition of [3H]-Raclopride binding to Dopamine receptor D2A in rat | J Med Chem 47: 3927-30 (2004) Article DOI: 10.1021/jm0498102 BindingDB Entry DOI: 10.7270/Q2FQ9W2Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM50098549 ((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Displacement of [3H]raclopride from rat dopamine D2 receptor | J Med Chem 50: 171-81 (2007) Article DOI: 10.1021/jm060959i BindingDB Entry DOI: 10.7270/Q22J6CPJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50098549 ((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 778 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Displacement of [3H]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells | J Med Chem 44: 1337-40 (2001) BindingDB Entry DOI: 10.7270/Q23X85WM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50098549 ((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Displacement of [3H]-Raclopride from human dopamine receptor D2A expressed in mouse Ltk cells | J Med Chem 44: 1337-40 (2001) BindingDB Entry DOI: 10.7270/Q23X85WM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM50098549 ((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Displacement of [3H]raclopride from rat dopamine D2 receptor | J Med Chem 50: 171-81 (2007) Article DOI: 10.1021/jm060959i BindingDB Entry DOI: 10.7270/Q22J6CPJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat)) | BDBM50098549 ((6aR,aR)-3-Methyl-2-(6-methyl-5,6,6a,7-tetrahydro-...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 8.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Displacement of [3H]8-OH-DPAT from rat 5HT1A receptor | J Med Chem 50: 171-81 (2007) Article DOI: 10.1021/jm060959i BindingDB Entry DOI: 10.7270/Q22J6CPJ | |||||||||||
More data for this Ligand-Target Pair |