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BDBM50469504 CHEMBL4293999
SMILES: Fc1ccc2c(noc2c1)C1CCN(CCCCC(=O)c2cc3CCN4c3c(CCC4=O)c2)CC1
InChI Key: InChIKey=ACOZPXLCYUQMHS-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 2A (Homo sapiens (Human)) | BDBM50469504 (CHEMBL4293999) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet  | PC cid PC sid UniChem | 0.720 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat)) | BDBM50469504 (CHEMBL4293999) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.720 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Huazhong University of Science and Technology Curated by ChEMBL | Assay Description Displacement of [3H]-ketanserine from serotonin 5-HT2A receptor in rat brain cortex homogenates incubated for 30 mins by liquid scintillation countin... | J Med Chem 61: 10017-10039 (2018) Article DOI: 10.1021/acs.jmedchem.8b01096 BindingDB Entry DOI: 10.7270/Q2NS0XK7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| D(3) dopamine receptor (Rattus norvegicus (Rat)) | BDBM50469504 (CHEMBL4293999) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Huazhong University of Science and Technology Curated by ChEMBL | Assay Description Displacement of [3H] 7-OH-DPAT from dopamine D3 receptor in rat olfactory tubercle homogenates after 60 mins by liquid scintillation counting | J Med Chem 61: 10017-10039 (2018) Article DOI: 10.1021/acs.jmedchem.8b01096 BindingDB Entry DOI: 10.7270/Q2NS0XK7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50469504 (CHEMBL4293999) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| D(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM50469504 (CHEMBL4293999) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Huazhong University of Science and Technology Curated by ChEMBL | Assay Description Displacement of [3H]-spiperone from dopamine D2 receptor in rat striatum homogenates after 30 mins by liquid scintillation counting | J Med Chem 61: 10017-10039 (2018) Article DOI: 10.1021/acs.jmedchem.8b01096 BindingDB Entry DOI: 10.7270/Q2NS0XK7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50469504 (CHEMBL4293999) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 6 (Homo sapiens (Human)) | BDBM50469504 (CHEMBL4293999) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Huazhong University of Science and Technology Curated by ChEMBL | Assay Description Displacement of [3H]-lysergic acid diethylamide from human serotonin 5-HT6 receptor expressed in CHO cell membranes incubated for 30 mins by liquid s... | J Med Chem 61: 10017-10039 (2018) Article DOI: 10.1021/acs.jmedchem.8b01096 BindingDB Entry DOI: 10.7270/Q2NS0XK7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 6 (Homo sapiens (Human)) | BDBM50469504 (CHEMBL4293999) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50469504 (CHEMBL4293999) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat)) | BDBM50469504 (CHEMBL4293999) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Huazhong University of Science and Technology Curated by ChEMBL | Assay Description Displacement of [3H]-8-OH-DPAT from serotonin 5-HT1A receptor in rat brain cortex homogenates incubated for 30 mins by liquid scintillation counting | J Med Chem 61: 10017-10039 (2018) Article DOI: 10.1021/acs.jmedchem.8b01096 BindingDB Entry DOI: 10.7270/Q2NS0XK7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| D(1A) dopamine receptor (RAT) | BDBM50469504 (CHEMBL4293999) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 77 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Huazhong University of Science and Technology Curated by ChEMBL | Assay Description Displacement of [3H]-SCH23390 from dopamine D1 receptor in rat strriatum homogenates after 20 mins by liquid scintillation counting | J Med Chem 61: 10017-10039 (2018) Article DOI: 10.1021/acs.jmedchem.8b01096 BindingDB Entry DOI: 10.7270/Q2NS0XK7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 7 (Rattus norvegicus (rat)) | BDBM50469504 (CHEMBL4293999) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 226 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Huazhong University of Science and Technology Curated by ChEMBL | Assay Description Displacement of [3H]-5-CT from 5-HT7 receptor in rat cerebral cortex homogenates after 30 mins by liquid scintillation counting | J Med Chem 61: 10017-10039 (2018) Article DOI: 10.1021/acs.jmedchem.8b01096 BindingDB Entry DOI: 10.7270/Q2NS0XK7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat)) | BDBM50469504 (CHEMBL4293999) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 431 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Huazhong University of Science and Technology Curated by ChEMBL | Assay Description Displacement of [3H]-prazosin from alpha-1 adrenergic receptor in rat cerebral cortex homogenates incubated for 60 mins by liquid scintillation count... | J Med Chem 61: 10017-10039 (2018) Article DOI: 10.1021/acs.jmedchem.8b01096 BindingDB Entry DOI: 10.7270/Q2NS0XK7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 2C (Homo sapiens (Human)) | BDBM50469504 (CHEMBL4293999) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | 616 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat)) | BDBM50469504 (CHEMBL4293999) | KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 616 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Huazhong University of Science and Technology Curated by ChEMBL | Assay Description Displacement of [3H]-mesulergine from serotonin 5-HT2C receptor in rat brain cerebral cortex homogenates incubated for 15 mins by liquid scintillatio... | J Med Chem 61: 10017-10039 (2018) Article DOI: 10.1021/acs.jmedchem.8b01096 BindingDB Entry DOI: 10.7270/Q2NS0XK7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Histamine H1 receptor (Homo sapiens (Human)) | BDBM50469504 (CHEMBL4293999) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | 630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Histamine H1 receptor (Cavia porcellus (domestic guinea pig)) | BDBM50469504 (CHEMBL4293999) | UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Huazhong University of Science and Technology Curated by ChEMBL | Assay Description Displacement of [3H]-mepyramine from histamine H1 receptor in guinea pig cerebellum homogenates incubated for 60 mins by liquid scintillation countin... | J Med Chem 61: 10017-10039 (2018) Article DOI: 10.1021/acs.jmedchem.8b01096 BindingDB Entry DOI: 10.7270/Q2NS0XK7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Sodium-dependent dopamine transporter (Rattus norvegicus (rat)) | BDBM50469504 (CHEMBL4293999) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Huazhong University of Science and Technology Curated by ChEMBL | Assay Description Displacement of [3H] WIN35,428 from rat striatum homogenate DAT after 8 hrs mins by liquid scintillation counting | J Med Chem 61: 10017-10039 (2018) Article DOI: 10.1021/acs.jmedchem.8b01096 BindingDB Entry DOI: 10.7270/Q2NS0XK7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat)) | BDBM50469504 (CHEMBL4293999) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Huazhong University of Science and Technology Curated by ChEMBL | Assay Description Displacement of [3H]-rauwolscine from adrenergic alpha2 receptor in rat cerebral cotex homogenates after 60 mins by liquid scintillation counting | J Med Chem 61: 10017-10039 (2018) Article DOI: 10.1021/acs.jmedchem.8b01096 BindingDB Entry DOI: 10.7270/Q2NS0XK7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Muscarinic acetylcholine receptor M1 (Homo sapiens (Human)) | BDBM50469504 (CHEMBL4293999) | UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Huazhong University of Science and Technology Curated by ChEMBL | Assay Description Displacement of [3H]-QNB from M1 receptor (unknown origin) in cell membrane homogenates after 30 mins by liquid scintillation counting | J Med Chem 61: 10017-10039 (2018) Article DOI: 10.1021/acs.jmedchem.8b01096 BindingDB Entry DOI: 10.7270/Q2NS0XK7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig)) | BDBM50469504 (CHEMBL4293999) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Huazhong University of Science and Technology Curated by ChEMBL | Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membranes after 180 mins by liquid scintillation counting | J Med Chem 61: 10017-10039 (2018) Article DOI: 10.1021/acs.jmedchem.8b01096 BindingDB Entry DOI: 10.7270/Q2NS0XK7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Histamine H3 receptor (Rattus norvegicus (rat)) | BDBM50469504 (CHEMBL4293999) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Huazhong University of Science and Technology Curated by ChEMBL | Assay Description Displacement of [3H] methylhistamine from histamine H3 receptor in rat cerebral cotex homogenates after 30 mins by liquid scintillation counting | J Med Chem 61: 10017-10039 (2018) Article DOI: 10.1021/acs.jmedchem.8b01096 BindingDB Entry DOI: 10.7270/Q2NS0XK7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Sodium-dependent serotonin transporter (Rattus norvegicus (rat)) | BDBM50469504 (CHEMBL4293999) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Huazhong University of Science and Technology Curated by ChEMBL | Assay Description Displacement of [3H]-paroxetine from SERT in rat cerebral cotex homogenates after 10 mins by liquid scintillation counting | J Med Chem 61: 10017-10039 (2018) Article DOI: 10.1021/acs.jmedchem.8b01096 BindingDB Entry DOI: 10.7270/Q2NS0XK7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50469504 (CHEMBL4293999) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 588 | n/a | n/a | n/a | n/a | n/a | n/a |
Huazhong University of Science and Technology Curated by ChEMBL | Assay Description Antagonist activity at serotonin 5-HT1A receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of serotonin-induced calcium flux ... | J Med Chem 61: 10017-10039 (2018) Article DOI: 10.1021/acs.jmedchem.8b01096 BindingDB Entry DOI: 10.7270/Q2NS0XK7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50469504 (CHEMBL4293999) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Huazhong University of Science and Technology Curated by ChEMBL | Assay Description Antagonist activity at dopamine D2 receptor long isoform (unknown origin) expressed in HEK293 cells assessed as inhibition of dopamine-induced calciu... | J Med Chem 61: 10017-10039 (2018) Article DOI: 10.1021/acs.jmedchem.8b01096 BindingDB Entry DOI: 10.7270/Q2NS0XK7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 1,3-beta-glucan synthase component GSC2 (Saccharomyces cerevisiae) | BDBM50469504 (CHEMBL4293999) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Huazhong University of Science and Technology Curated by ChEMBL | Assay Description Inhibition of human ERG expressed in HEK293 cells at -50 mV holding potential by patch clamp assay | J Med Chem 61: 10017-10039 (2018) Article DOI: 10.1021/acs.jmedchem.8b01096 BindingDB Entry DOI: 10.7270/Q2NS0XK7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 6 (Homo sapiens (Human)) | BDBM50469504 (CHEMBL4293999) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 178 | n/a | n/a | n/a | n/a | n/a | n/a |
Huazhong University of Science and Technology Curated by ChEMBL | Assay Description Antagonist activity at serotonin human 5-HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced calcium flux after 15 min... | J Med Chem 61: 10017-10039 (2018) Article DOI: 10.1021/acs.jmedchem.8b01096 BindingDB Entry DOI: 10.7270/Q2NS0XK7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50469504 (CHEMBL4293999) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Huazhong University of Science and Technology Curated by ChEMBL | Assay Description Antagonist activity at dopamine D3 receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of dopamine-induced calcium flux after ... | J Med Chem 61: 10017-10039 (2018) Article DOI: 10.1021/acs.jmedchem.8b01096 BindingDB Entry DOI: 10.7270/Q2NS0XK7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 2A (Homo sapiens (Human)) | BDBM50469504 (CHEMBL4293999) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 257 | n/a | n/a | n/a | n/a | n/a | n/a |
Huazhong University of Science and Technology Curated by ChEMBL | Assay Description Antagonist activity at serotonin 5-HT2A receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of serotonin-induced calcium flux ... | J Med Chem 61: 10017-10039 (2018) Article DOI: 10.1021/acs.jmedchem.8b01096 BindingDB Entry DOI: 10.7270/Q2NS0XK7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| D(1A) dopamine receptor (Homo sapiens (Human)) | BDBM50469504 (CHEMBL4293999) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 366 | n/a | n/a | n/a | n/a | n/a | n/a |
Huazhong University of Science and Technology Curated by ChEMBL | Assay Description Antagonist activity at human dopamine D1 receptor expressed in HEK293T cells assessed as inhibition of dopamine-induced cAMP accumulation preincubate... | J Med Chem 61: 10017-10039 (2018) Article DOI: 10.1021/acs.jmedchem.8b01096 BindingDB Entry DOI: 10.7270/Q2NS0XK7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
