BDBM50240839 CHEMBL4062581

SMILES: COc1cccc(Cn2c3nc4cc(OC)ccn4c3c(=O)n(CC3CC3)c2=O)c1

InChI Key: InChIKey=MXGKPHHQDOPMEW-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50240839   

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))	BDBM50240839 (CHEMBL4062581) Show SMILES COc1cccc(Cn2c3nc4cc(OC)ccn4c3c(=O)n(CC3CC3)c2=O)c1 Show InChI InChI=1S/C22H22N4O4/c1-29-16-5-3-4-15(10-16)13-25-20-19(21(27)26(22(25)28)12-14-6-7-14)24-9-8-17(30-2)11-18(24)23-20/h3-5,8-11,14H,6-7,12-13H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry				J Med Chem 60: 7555-7568 (2017) Article DOI: 10.1021/acs.jmedchem.7b00950 BindingDB Entry DOI: 10.7270/Q2ST7S06
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50240839 (CHEMBL4062581) Show SMILES COc1cccc(Cn2c3nc4cc(OC)ccn4c3c(=O)n(CC3CC3)c2=O)c1 Show InChI InChI=1S/C22H22N4O4/c1-29-16-5-3-4-15(10-16)13-25-20-19(21(27)26(22(25)28)12-14-6-7-14)24-9-8-17(30-2)11-18(24)23-20/h3-5,8-11,14H,6-7,12-13H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed on CHO cell membranes after 2 hrs by scintillation spectrometry				J Med Chem 60: 7555-7568 (2017) Article DOI: 10.1021/acs.jmedchem.7b00950 BindingDB Entry DOI: 10.7270/Q2ST7S06
					More data for this Ligand-Target Pair