BDBM50253926 (2-amino-4-((4-(benzo[d][1,3]dioxol-5-yl)piperazin-1-yl)methyl)thiophen-3-yl)(4-chlorophenyl)methanone::CHEMBL518345
SMILES: Nc1scc(CN2CCN(CC2)c2ccc3OCOc3c2)c1C(=O)c1ccc(Cl)cc1
InChI Key: InChIKey=VETJLOKKGTWBFO-UHFFFAOYSA-N
Data: 2 Kd
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 A1 (Homo sapiens (human)) | BDBM50253926![]() ((2-amino-4-((4-(benzo[d][1,3]dioxol-5-yl)piperazin...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL | Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells | J Med Chem 51: 5875-9 (2008) Article DOI: 10.1021/jm800586p BindingDB Entry DOI: 10.7270/Q2PG1RJ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (human)) | BDBM50253926![]() ((2-amino-4-((4-(benzo[d][1,3]dioxol-5-yl)piperazin...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Scienze Farmaceutiche Curated by ChEMBL | Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells | J Med Chem 51: 5875-9 (2008) Article DOI: 10.1021/jm800586p BindingDB Entry DOI: 10.7270/Q2PG1RJ9 | |||||||||||
More data for this Ligand-Target Pair |