BDBM50343797 CHEMBL1774540::N-(3-Fluoro-4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-5-methoxy-1H-indole-2-carboxamide
SMILES: COc1ccc2[nH]c(cc2c1)C(=O)NCCC(F)CN1CCN(CC1)c1ccccc1OC
InChI Key: InChIKey=XUBVWPDKERMCAP-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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D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50343797 (CHEMBL1774540 | N-(3-Fluoro-4-(4-(2-methoxyphenyl)...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL | Assay Description Displacement of [125I]-IABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting | J Med Chem 54: 3581-94 (2011) Article DOI: 10.1021/jm200288r BindingDB Entry DOI: 10.7270/Q25M661K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50343797 (CHEMBL1774540 | N-(3-Fluoro-4-(4-(2-methoxyphenyl)...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 302 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL | Assay Description Displacement of [125I]-IABN from human dopamine D2L receptor expressed in HEK293 cells after 60 mins by gamma counting | J Med Chem 54: 3581-94 (2011) Article DOI: 10.1021/jm200288r BindingDB Entry DOI: 10.7270/Q25M661K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50343797 (CHEMBL1774540 | N-(3-Fluoro-4-(4-(2-methoxyphenyl)...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL | Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor | J Med Chem 54: 3581-94 (2011) Article DOI: 10.1021/jm200288r BindingDB Entry DOI: 10.7270/Q25M661K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2A (Homo sapiens (Human)) | BDBM50343797 (CHEMBL1774540 | N-(3-Fluoro-4-(4-(2-methoxyphenyl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.54E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL | Assay Description Displacement of [125I]DOI from 5HT2A receptor | J Med Chem 54: 3581-94 (2011) Article DOI: 10.1021/jm200288r BindingDB Entry DOI: 10.7270/Q25M661K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50343797 (CHEMBL1774540 | N-(3-Fluoro-4-(4-(2-methoxyphenyl)...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.99E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL | Assay Description Antagonist activity at human dopamine D3 receptor expressed in CHO-K1 cells assessed as inhibition of dopamine-induced recruitment of beta-arrestin-2... | J Med Chem 54: 3581-94 (2011) Article DOI: 10.1021/jm200288r BindingDB Entry DOI: 10.7270/Q25M661K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50343797 (CHEMBL1774540 | N-(3-Fluoro-4-(4-(2-methoxyphenyl)...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL | Assay Description Antagonist activity at human dopamine D3 receptor expressed in CHOp cells assessed as inhibition of quinopirole-induced mitogenisis | J Med Chem 54: 3581-94 (2011) Article DOI: 10.1021/jm200288r BindingDB Entry DOI: 10.7270/Q25M661K | |||||||||||
More data for this Ligand-Target Pair |