BDBM50336709 4-(3,3-Dimethyl-butyrylamino)-2-methoxy-N-thiazol-2-yl-benzamide::CHEMBL1671929
SMILES: COc1cc(NC(=O)CC(C)(C)C)ccc1C(=O)Nc1nccs1
InChI Key: InChIKey=QKTXEHDRNNYFGM-UHFFFAOYSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50336709 (4-(3,3-Dimethyl-butyrylamino)-2-methoxy-N-thiazol-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S Curated by ChEMBL | Assay Description Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in high five cells after 30 mins by scintillation counting | J Med Chem 54: 751-64 (2012) Article DOI: 10.1021/jm1008659 BindingDB Entry DOI: 10.7270/Q23X87N9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50336709 (4-(3,3-Dimethyl-butyrylamino)-2-methoxy-N-thiazol-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S Curated by ChEMBL | Assay Description Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 30 mins by scintillation counting | J Med Chem 54: 751-64 (2012) Article DOI: 10.1021/jm1008659 BindingDB Entry DOI: 10.7270/Q23X87N9 | |||||||||||
More data for this Ligand-Target Pair |