BDBM6643 2-amino-4-(2H-1,3-benzodioxol-5-yl)-6-methoxypyridine-3,5-dicarbonitrile::4-Aryl-2-aminopyridine deriv. 10
SMILES: COc1nc(N)c(C#N)c(-c2ccc3OCOc3c2)c1C#N
InChI Key: InChIKey=ABLFQJZRWXQNFZ-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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Adenosine receptor A1 (Homo sapiens (Human)) | BDBM6643 (2-amino-4-(2H-1,3-benzodioxol-5-yl)-6-methoxypyrid...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | 510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL | Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 1 hr by scintillation counting | J Med Chem 55: 7010-20 (2012) Article DOI: 10.1021/jm3003069 BindingDB Entry DOI: 10.7270/Q2P55PMS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM6643 (2-amino-4-(2H-1,3-benzodioxol-5-yl)-6-methoxypyrid...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | 3.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL | Assay Description Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK 293 cells after 2 hrs by scintillation counting | J Med Chem 55: 7010-20 (2012) Article DOI: 10.1021/jm3003069 BindingDB Entry DOI: 10.7270/Q2P55PMS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human)) | BDBM6643 (2-amino-4-(2H-1,3-benzodioxol-5-yl)-6-methoxypyrid...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.60E+4 | n/a | n/a | n/a | n/a | 7.4 | 30 |
Banyu Tsukuba Research Institute | Assay Description In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d... | J Med Chem 44: 4615-27 (2001) Article DOI: 10.1021/jm0103256 BindingDB Entry DOI: 10.7270/Q2736P3Q | |||||||||||
More data for this Ligand-Target Pair |