BDBM50122809 3-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-[1,2,4]triazol-3-yl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-1-methyl-pyrrolidin-2-one::CHEMBL97333
SMILES: CN1CCC(CCN2CCC(CC2)c2cn(-c3ccc(F)cc3)c3ccc(cc23)-c2ncn(C)n2)C1=O
InChI Key: InChIKey=NLEVDCFBQNJLSW-UHFFFAOYSA-N
Data: 11 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 |
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Cerebral cortex alpha adrenergic receptor (CALF) | BDBM50122809 (3-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-[1,2,4...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.20 | 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]prazosin (0.3 nM) from bovine Alpha-1A adrenergic receptor expressed in BHK cells | J Med Chem 46: 265-83 (2003) Article DOI: 10.1021/jm020938y BindingDB Entry DOI: 10.7270/Q2TB17MV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ADRA1B (C.H.O.) | BDBM50122809 (3-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-[1,2,4...) | Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 8.80 | 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]prazosin (0.5 nM) from hamster Alpha-1B adrenergic receptor expressed in rat-1 cells | J Med Chem 46: 265-83 (2003) Article DOI: 10.1021/jm020938y BindingDB Entry DOI: 10.7270/Q2TB17MV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat)) | BDBM50122809 (3-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-[1,2,4...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 15 | 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]prazosin (0.3 nM) from rat Alpha-1D adrenergic receptor expressed in CHO cells | J Med Chem 46: 265-83 (2003) Article DOI: 10.1021/jm020938y BindingDB Entry DOI: 10.7270/Q2TB17MV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50122809 (3-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-[1,2,4...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 64 | 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 Ability to displace [3H]5-CT (2.0 nM) from HeLa cells of human 5-hydroxytryptamine 1A receptor | J Med Chem 46: 265-83 (2003) Article DOI: 10.1021/jm020938y BindingDB Entry DOI: 10.7270/Q2TB17MV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1B (Homo sapiens (Human)) | BDBM50122809 (3-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-[1,2,4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 100 | 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 Ability to displace [3H]5-CT (1.5 nM) from HeLa cells of human 5-hydroxytryptamine 1B receptor | J Med Chem 46: 265-83 (2003) Article DOI: 10.1021/jm020938y BindingDB Entry DOI: 10.7270/Q2TB17MV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat)) | BDBM50122809 (3-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-[1,2,4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 320 | 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]ketanserin (0.5 nM) from rat cerebral cortex 5-hydroxytryptamine 2A receptors | J Med Chem 46: 265-83 (2003) Article DOI: 10.1021/jm020938y BindingDB Entry DOI: 10.7270/Q2TB17MV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM50122809 (3-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-[1,2,4...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 540 | 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]spiperone (0.5 nM) from rat corpus striatum dopamine D2 receptor | J Med Chem 46: 265-83 (2003) Article DOI: 10.1021/jm020938y BindingDB Entry DOI: 10.7270/Q2TB17MV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2C (Homo sapiens (Human)) | BDBM50122809 (3-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-[1,2,4...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >4.20E+3 | 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 Ability to displace [3H]mesulergine (0.5 nM) from CHO cells of human 5-hydroxytryptamine 2C receptor | J Med Chem 46: 265-83 (2003) Article DOI: 10.1021/jm020938y BindingDB Entry DOI: 10.7270/Q2TB17MV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(1A) dopamine receptor (RAT) | BDBM50122809 (3-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-[1,2,4...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5.60E+3 | 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 Ability to displace [3H]-SCH- 23390 (0.2 nM) from corpus striatum of rat Dopamine receptor D1 | J Med Chem 46: 265-83 (2003) Article DOI: 10.1021/jm020938y BindingDB Entry DOI: 10.7270/Q2TB17MV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50122809 (3-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-[1,2,4...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >7.10E+3 | 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 Ability to displace [3H]spiperone (0.3 nM) from CHO cells of human Dopamine receptor D3 | J Med Chem 46: 265-83 (2003) Article DOI: 10.1021/jm020938y BindingDB Entry DOI: 10.7270/Q2TB17MV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(4) dopamine receptor (Homo sapiens (Human)) | BDBM50122809 (3-(2-{4-[1-(4-Fluoro-phenyl)-5-(1-methyl-1H-[1,2,4...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 7.20E+3 | 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]-YM-09151-2 (0.06 nM) from human Dopamine receptor D4 expressed in CHO cells | J Med Chem 46: 265-83 (2003) Article DOI: 10.1021/jm020938y BindingDB Entry DOI: 10.7270/Q2TB17MV | |||||||||||
More data for this Ligand-Target Pair |