BDBM50240841 CHEMBL4082732

SMILES: COc1ccn2c(c1)nc1n(Cc3cccc(C)c3)c(=O)n(CC3CC3)c(=O)c21

InChI Key: InChIKey=ZIKNBBFPGJTHCU-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 = 50240841   

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))	BDBM50240841 (CHEMBL4082732) Show SMILES COc1ccn2c(c1)nc1n(Cc3cccc(C)c3)c(=O)n(CC3CC3)c(=O)c21 Show InChI InChI=1S/C22H22N4O3/c1-14-4-3-5-16(10-14)13-25-20-19(21(27)26(22(25)28)12-15-6-7-15)24-9-8-17(29-2)11-18(24)23-20/h3-5,8-11,15H,6-7,12-13H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	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))	BDBM50240841 (CHEMBL4082732) Show SMILES COc1ccn2c(c1)nc1n(Cc3cccc(C)c3)c(=O)n(CC3CC3)c(=O)c21 Show InChI InChI=1S/C22H22N4O3/c1-14-4-3-5-16(10-14)13-25-20-19(21(27)26(22(25)28)12-15-6-7-15)24-9-8-17(29-2)11-18(24)23-20/h3-5,8-11,15H,6-7,12-13H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Binding activity against HIV-1 Protease				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