BDBM50424510 CHEMBL2311745

SMILES: COc1cccc(-c2cc(NC(C)=O)nc(n2)-c2cccc(OC)c2OC)c1OC

InChI Key: InChIKey=KEKAMKGLDCNNBK-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50424510   

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 A3 (Homo sapiens (Human))	BDBM50424510 (CHEMBL2311745) Show SMILES COc1cccc(-c2cc(NC(C)=O)nc(n2)-c2cccc(OC)c2OC)c1OC Show InChI InChI=1S/C22H23N3O5/c1-13(26)23-19-12-16(14-8-6-10-17(27-2)20(14)29-4)24-22(25-19)15-9-7-11-18(28-3)21(15)30-5/h6-12H,1-5H3,(H,23,24,25,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells				Eur J Med Chem 59: 235-42 (2013) Article DOI: 10.1016/j.ejmech.2012.11.010 BindingDB Entry DOI: 10.7270/Q2QN683M
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50424510 (CHEMBL2311745) Show SMILES COc1cccc(-c2cc(NC(C)=O)nc(n2)-c2cccc(OC)c2OC)c1OC Show InChI InChI=1S/C22H23N3O5/c1-13(26)23-19-12-16(14-8-6-10-17(27-2)20(14)29-4)24-22(25-19)15-9-7-11-18(28-3)21(15)30-5/h6-12H,1-5H3,(H,23,24,25,26)	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	375	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]4-(2-[7-Amino-2-(2-furyl) [1,2,4]triazolo[2,3-alpha] [1,3,5]triazin-5-ylamino]ethyl)phenol from human adenosine A2A receptor expr...				Eur J Med Chem 59: 235-42 (2013) Article DOI: 10.1016/j.ejmech.2012.11.010 BindingDB Entry DOI: 10.7270/Q2QN683M
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50424510 (CHEMBL2311745) Show SMILES COc1cccc(-c2cc(NC(C)=O)nc(n2)-c2cccc(OC)c2OC)c1OC Show InChI InChI=1S/C22H23N3O5/c1-13(26)23-19-12-16(14-8-6-10-17(27-2)20(14)29-4)24-22(25-19)15-9-7-11-18(28-3)21(15)30-5/h6-12H,1-5H3,(H,23,24,25,26)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	494	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK-293 cells				Eur J Med Chem 59: 235-42 (2013) Article DOI: 10.1016/j.ejmech.2012.11.010 BindingDB Entry DOI: 10.7270/Q2QN683M
					More data for this Ligand-Target Pair