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SMILES: Nc1nc-2c(Cc3ccc(OCCCN4CCCC4)cc-23)c(n1)-c1ccccc1
InChI Key:
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50580515 (CHEMBL5088622) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet  | PC cid PC sid UniChem | Article PubMed | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells by liquid scintillation counting analysis | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00914 BindingDB Entry DOI: 10.7270/Q22F7S8G | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Histamine H3 receptor (Homo sapiens (Human)) | BDBM50580515 (CHEMBL5088622) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of [3H] N-alpha methylhistamine from human recombinant histamine H3 receptor expressed in HEK293 cells measured after 90 mins | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00914 BindingDB Entry DOI: 10.7270/Q22F7S8G | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50580515 (CHEMBL5088622) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells by liquid scintillation counting analysis | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00914 BindingDB Entry DOI: 10.7270/Q22F7S8G | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adenosine receptor A2b (Homo sapiens (Human)) | BDBM50580515 (CHEMBL5088622) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells by liquid scintillation counting analysis | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00914 BindingDB Entry DOI: 10.7270/Q22F7S8G | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50580515 (CHEMBL5088622) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells by liquid scintillation counting analysis | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00914 BindingDB Entry DOI: 10.7270/Q22F7S8G | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| D(3) dopamine receptor (Homo sapiens) | BDBM50580515 (CHEMBL5088622) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of [3H]spiperone from human recombinant dopamine D3 receptor expressed in CHO cells by liquid scintillation counting analysis | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00914 BindingDB Entry DOI: 10.7270/Q22F7S8G | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Histamine H1 receptor (Homo sapiens (Human)) | BDBM50580515 (CHEMBL5088622) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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 |
TBA | Assay Description Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHO cells by liquid scintillation counting analysis | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00914 BindingDB Entry DOI: 10.7270/Q22F7S8G | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| D(1B) dopamine receptor (Homo sapiens (Human)) | BDBM50580515 (CHEMBL5088622) | PDB UniProtKB/SwissProt 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 |
TBA | Assay Description Displacement of [3H]SCH23390 from human recombinant dopamine D5 receptor expressed in HEK293 cells by liquid scintillation counting analysis | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00914 BindingDB Entry DOI: 10.7270/Q22F7S8G | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50580515 (CHEMBL5088622) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 1.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of [3H]spiperone from human recombinant dopamine D2S receptor expressed in CHO cells by liquid scintillation counting analysis | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00914 BindingDB Entry DOI: 10.7270/Q22F7S8G | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Histamine H4 receptor (Homo sapiens (Human)) | BDBM50580515 (CHEMBL5088622) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of [3H]histamine from human recombinant histamine H4 receptor expressed in sf9 cells by liquid scintillation counting analysis | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00914 BindingDB Entry DOI: 10.7270/Q22F7S8G | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Amine oxidase [flavin-containing] B (Homo sapiens (Human)) | BDBM50580515 (CHEMBL5088622) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of human recombinant MAO-B using kynuramine as substrate measured for 30 mins by spectrophotometric analysis | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00914 BindingDB Entry DOI: 10.7270/Q22F7S8G | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
