BDBM50517304 CHEMBL4587144
SMILES: [H][C@]12C[C@@]1(CO)[C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(N[C@H]3C[C@@]4([H])CC[C@]3([H])C4)nc(Cl)nc12
InChI Key: InChIKey=PCZAPKFXBXOWRY-OITXHHBMSA-N
Data: 7 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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Adenosine A1 receptor (Mus musculus) | BDBM50517304 (CHEMBL4587144) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical College of Wisconsin Curated by ChEMBL | Assay Description Displacement of [3H]N6-R-phenylisopropyladenosine from mouse A1A adenosine receptor expressed in CHO cell membranes after 60 mins by scintillation pr... | J Med Chem 62: 1502-1522 (2019) Article DOI: 10.1021/acs.jmedchem.8b01662 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50517304 (CHEMBL4587144) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical College of Wisconsin Curated by ChEMBL | Assay Description Displacement of [3H]N6-R-phenylisopropyladenosine from human A1A adenosine receptor expressed in CHO cell membranes after 60 mins by scintillation pr... | J Med Chem 62: 1502-1522 (2019) Article DOI: 10.1021/acs.jmedchem.8b01662 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50517304 (CHEMBL4587144) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 288 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical College of Wisconsin Curated by ChEMBL | Assay Description Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5-N-methyluronamide from human A3A adenosine receptor expressed in CHO cell membranes after ... | J Med Chem 62: 1502-1522 (2019) Article DOI: 10.1021/acs.jmedchem.8b01662 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2B (Homo sapiens (Human)) | BDBM50517304 (CHEMBL4587144) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 472 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical College of Wisconsin Curated by ChEMBL | Assay Description Inhibition of 5HT2B (unknown origin) | J Med Chem 62: 1502-1522 (2019) Article DOI: 10.1021/acs.jmedchem.8b01662 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Mus musculus) | BDBM50517304 (CHEMBL4587144) | UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 574 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical College of Wisconsin Curated by ChEMBL | Assay Description Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5-N-methyluronamide from mouse A3A adenosine receptor expressed in CHO cell membranes after ... | J Med Chem 62: 1502-1522 (2019) Article DOI: 10.1021/acs.jmedchem.8b01662 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50517304 (CHEMBL4587144) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 4.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical College of Wisconsin Curated by ChEMBL | Assay Description Displacement of [3H]2-[p-(2-carboxyethyl)phenylethylamino]-5-N-ethylcarboxamidoadenosine from human A2A adenosine receptor expressed in HEK293 cell m... | J Med Chem 62: 1502-1522 (2019) Article DOI: 10.1021/acs.jmedchem.8b01662 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monoamine transporter (Homo sapiens (Human)) | BDBM50517304 (CHEMBL4587144) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 5.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical College of Wisconsin Curated by ChEMBL | Assay Description Inhibition of NET (unknown origin) | J Med Chem 62: 1502-1522 (2019) Article DOI: 10.1021/acs.jmedchem.8b01662 | |||||||||||
More data for this Ligand-Target Pair |