BDBM50159486 CHEMBL3785290

SMILES: CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccco1

InChI Key: InChIKey=YAACPROIKGSQEL-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50159486   

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))	BDBM50159486 (CHEMBL3785290) Show SMILES CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccco1 |c:5| Show InChI InChI=1S/C18H17N3O3/c1-3-23-17(22)15-11(2)19-18-20-12-7-4-5-8-13(12)21(18)16(15)14-9-6-10-24-14/h4-10,16H,3H2,1-2H3,(H,19,20)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells after 30 mins				J Med Chem 59: 1967-83 (2016) BindingDB Entry DOI: 10.7270/Q2QF8VS9
					More data for this Ligand-Target Pair
Adenosine receptors; A2a & A2b (Homo sapiens (Human))	BDBM50159486 (CHEMBL3785290) Show SMILES CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccco1 |c:5| Show InChI InChI=1S/C18H17N3O3/c1-3-23-17(22)15-11(2)19-18-20-12-7-4-5-8-13(12)21(18)16(15)14-9-6-10-24-14/h4-10,16H,3H2,1-2H3,(H,19,20)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cell membranes incubated for 60 mins by scintillation counting method				J Med Chem 63: 7721-7739 (2020)
					More data for this Ligand-Target Pair
Adenosine receptors; A2a & A2b (Homo sapiens (Human))	BDBM50159486 (CHEMBL3785290) Show SMILES CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccco1 |c:5| Show InChI InChI=1S/C18H17N3O3/c1-3-23-17(22)15-11(2)19-18-20-12-7-4-5-8-13(12)21(18)16(15)14-9-6-10-24-14/h4-10,16H,3H2,1-2H3,(H,19,20)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human recombinant A2B receptor expressed in human HEK293 cell membranes incubated for 30 mins by radioligand binding c...				J Med Chem 62: 9315-9330 (2019) Article DOI: 10.1021/acs.jmedchem.9b01340
					More data for this Ligand-Target Pair
Adenosine receptors; A2a & A2b (Homo sapiens (Human))	BDBM50159486 (CHEMBL3785290) Show SMILES CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccco1 |c:5| Show InChI InChI=1S/C18H17N3O3/c1-3-23-17(22)15-11(2)19-18-20-12-7-4-5-8-13(12)21(18)16(15)14-9-6-10-24-14/h4-10,16H,3H2,1-2H3,(H,19,20)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human recombinant A2B receptor expressed in human HEK293 cell membranes incubated for 30 mins by radioligand binding c...				J Med Chem 62: 9315-9330 (2019) Article DOI: 10.1021/acs.jmedchem.9b01340
					More data for this Ligand-Target Pair