BDBM50240999 CHEMBL201145::N-(4-bromophenyl)-2-(4-(2,4-dioxo-1,3-dipropyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy)acetamide
SMILES: CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1
InChI Key: InChIKey=FQGGIJIQRRXFOZ-UHFFFAOYSA-N
Data: 6 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 A2b (Homo sapiens (Human)) | BDBM50240999 (CHEMBL201145 | N-(4-bromophenyl)-2-(4-(2,4-dioxo-1...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Bari Curated by ChEMBL | Assay Description Binding affinity to recombinant human adenosine A2B receptor | J Med Chem 49: 282-99 (2006) Article DOI: 10.1021/jm0506221 BindingDB Entry DOI: 10.7270/Q29K4CF5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2b (Homo sapiens (Human)) | BDBM50240999 (CHEMBL201145 | N-(4-bromophenyl)-2-(4-(2,4-dioxo-1...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Bari Curated by ChEMBL | Assay Description Displacement of [3H]DPCPX from human cloned adenosine A2B receptor expressed in HEK293 cells | Bioorg Med Chem 16: 9780-9 (2008) Article DOI: 10.1016/j.bmc.2008.09.067 BindingDB Entry DOI: 10.7270/Q21Z448B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50240999 (CHEMBL201145 | N-(4-bromophenyl)-2-(4-(2,4-dioxo-1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Bari Curated by ChEMBL | Assay Description Displacement of [3H]DPCPX from human cloned adenosine A1 receptor expressed in CHO cells | Bioorg Med Chem 16: 9780-9 (2008) Article DOI: 10.1016/j.bmc.2008.09.067 BindingDB Entry DOI: 10.7270/Q21Z448B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50240999 (CHEMBL201145 | N-(4-bromophenyl)-2-(4-(2,4-dioxo-1...) | 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 | 30.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Bari Curated by ChEMBL | Assay Description Binding affinity to recombinant human adenosine A2A receptor | J Med Chem 49: 282-99 (2006) Article DOI: 10.1021/jm0506221 BindingDB Entry DOI: 10.7270/Q29K4CF5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50240999 (CHEMBL201145 | N-(4-bromophenyl)-2-(4-(2,4-dioxo-1...) | 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 | 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Bari Curated by ChEMBL | Assay Description Displacement of [3H]ZM241385 from human cloned adenosine A2A receptor expressed in human HeLa cells | Bioorg Med Chem 16: 9780-9 (2008) Article DOI: 10.1016/j.bmc.2008.09.067 BindingDB Entry DOI: 10.7270/Q21Z448B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50240999 (CHEMBL201145 | N-(4-bromophenyl)-2-(4-(2,4-dioxo-1...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 199 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Bari Curated by ChEMBL | Assay Description Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in human HeLa cells | Bioorg Med Chem 16: 9780-9 (2008) Article DOI: 10.1016/j.bmc.2008.09.067 BindingDB Entry DOI: 10.7270/Q21Z448B | |||||||||||
More data for this Ligand-Target Pair |