BDBM50424511 CHEMBL2311741

SMILES: COc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-c1cccc(OC)c1

InChI Key: InChIKey=WMZQATIJDWATFY-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 = 50424511   

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))	BDBM50424511 (CHEMBL2311741) Show SMILES COc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-c1cccc(OC)c1 Show InChI InChI=1S/C20H19N3O3/c1-13(24)21-19-12-18(14-6-4-8-16(10-14)25-2)22-20(23-19)15-7-5-9-17(11-15)26-3/h4-12H,1-3H3,(H,21,22,23,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	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 A1 (Homo sapiens (Human))	BDBM50424511 (CHEMBL2311741) Show SMILES COc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-c1cccc(OC)c1 Show InChI InChI=1S/C20H19N3O3/c1-13(24)21-19-12-18(14-6-4-8-16(10-14)25-2)22-20(23-19)15-7-5-9-17(11-15)26-3/h4-12H,1-3H3,(H,21,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	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 A1 receptor expressed in CHO 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))	BDBM50424511 (CHEMBL2311741) Show SMILES COc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-c1cccc(OC)c1 Show InChI InChI=1S/C20H19N3O3/c1-13(24)21-19-12-18(14-6-4-8-16(10-14)25-2)22-20(23-19)15-7-5-9-17(11-15)26-3/h4-12H,1-3H3,(H,21,22,23,24)	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	49	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))	BDBM50424511 (CHEMBL2311741) Show SMILES COc1cccc(c1)-c1cc(NC(C)=O)nc(n1)-c1cccc(OC)c1 Show InChI InChI=1S/C20H19N3O3/c1-13(24)21-19-12-18(14-6-4-8-16(10-14)25-2)22-20(23-19)15-7-5-9-17(11-15)26-3/h4-12H,1-3H3,(H,21,22,23,24)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	68	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